                      :-) GROMACS - gmx mdrun, 2021.5 (-:

                            GROMACS is written by:
     Andrey Alekseenko              Emile Apol              Rossen Apostolov     
         Paul Bauer           Herman J.C. Berendsen           Par Bjelkmar       
       Christian Blau           Viacheslav Bolnykh             Kevin Boyd        
     Aldert van Buuren           Rudi van Drunen             Anton Feenstra      
    Gilles Gouaillardet             Alan Gray               Gerrit Groenhof      
       Anca Hamuraru            Vincent Hindriksen          M. Eric Irrgang      
      Aleksei Iupinov           Christoph Junghans             Joe Jordan        
    Dimitrios Karkoulis            Peter Kasson                Jiri Kraus        
      Carsten Kutzner              Per Larsson              Justin A. Lemkul     
       Viveca Lindahl            Magnus Lundborg             Erik Marklund       
        Pascal Merz             Pieter Meulenhoff            Teemu Murtola       
        Szilard Pall               Sander Pronk              Roland Schulz       
       Michael Shirts            Alexey Shvetsov             Alfons Sijbers      
       Peter Tieleman              Jon Vincent              Teemu Virolainen     
     Christian Wennberg            Maarten Wolf              Artem Zhmurov       
                           and the project leaders:
        Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel

Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.

GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.

GROMACS:      gmx mdrun, version 2021.5
Executable:   /usr/local/gromacs/bin/gmx
Data prefix:  /usr/local/gromacs
Working dir:  /media/romi/My Passport/2r29-500ns/313k
Process ID:   384426
Command line:
  gmx mdrun -deffnm md_0_10 -v

GROMACS version:    2021.5
Precision:          mixed
Memory model:       64 bit
MPI library:        thread_mpi
OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = 64)
GPU support:        CUDA
SIMD instructions:  AVX2_256
FFT library:        fftw-3.3.8-sse2-avx-avx2-avx2_128
RDTSCP usage:       enabled
TNG support:        enabled
Hwloc support:      disabled
Tracing support:    disabled
C compiler:         /usr/bin/cc GNU 9.4.0
C compiler flags:   -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -pthread -O3 -DNDEBUG
C++ compiler:       /usr/bin/c++ GNU 9.4.0
C++ compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -pthread -fopenmp -O3 -DNDEBUG
CUDA compiler:      /usr/local/cuda/bin/nvcc nvcc: NVIDIA (R) Cuda compiler driver;Copyright (c) 2005-2020 NVIDIA Corporation;Built on Mon_Nov_30_19:08:53_PST_2020;Cuda compilation tools, release 11.2, V11.2.67;Build cuda_11.2.r11.2/compiler.29373293_0
CUDA compiler flags:-std=c++17;-gencode;arch=compute_35,code=sm_35;-gencode;arch=compute_37,code=sm_37;-gencode;arch=compute_50,code=sm_50;-gencode;arch=compute_52,code=sm_52;-gencode;arch=compute_60,code=sm_60;-gencode;arch=compute_61,code=sm_61;-gencode;arch=compute_70,code=sm_70;-gencode;arch=compute_75,code=sm_75;-gencode;arch=compute_80,code=sm_80;-Wno-deprecated-gpu-targets;-gencode;arch=compute_86,code=sm_86;-gencode;arch=compute_35,code=compute_35;-gencode;arch=compute_53,code=compute_53;-gencode;arch=compute_80,code=compute_80;-use_fast_math;-D_FORCE_INLINES;-mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -pthread -fopenmp -O3 -DNDEBUG
CUDA driver:        11.40
CUDA runtime:       11.20


Running on 1 node with total 20 cores, 20 logical cores, 1 compatible GPU
Hardware detected:
  CPU info:
    Vendor: Intel
    Brand:  12th Gen Intel(R) Core(TM) i7-12700K
    Family: 6   Model: 151   Stepping: 2
    Features: aes apic avx avx2 clfsh cmov cx8 cx16 f16c fma htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp sha sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic
  Hardware topology: Only logical processor count
  GPU info:
    Number of GPUs detected: 1
    #0: NVIDIA NVIDIA GeForce RTX 3070 Ti, compute cap.: 8.6, ECC:  no, stat: compatible


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
M. J. Abraham, T. Murtola, R. Schulz, S. Páll, J. C. Smith, B. Hess, E.
Lindahl
GROMACS: High performance molecular simulations through multi-level
parallelism from laptops to supercomputers
SoftwareX 1 (2015) pp. 19-25
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Páll, M. J. Abraham, C. Kutzner, B. Hess, E. Lindahl
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with
GROMACS
In S. Markidis & E. Laure (Eds.), Solving Software Challenges for Exascale 8759 (2015) pp. 3-27
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Pronk, S. Páll, R. Schulz, P. Larsson, P. Bjelkmar, R. Apostolov, M. R.
Shirts, J. C. Smith, P. M. Kasson, D. van der Spoel, B. Hess, and E. Lindahl
GROMACS 4.5: a high-throughput and highly parallel open source molecular
simulation toolkit
Bioinformatics 29 (2013) pp. 845-54
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
B. Hess and C. Kutzner and D. van der Spoel and E. Lindahl
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable
molecular simulation
J. Chem. Theory Comput. 4 (2008) pp. 435-447
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark and H. J. C.
Berendsen
GROMACS: Fast, Flexible and Free
J. Comp. Chem. 26 (2005) pp. 1701-1719
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
E. Lindahl and B. Hess and D. van der Spoel
GROMACS 3.0: A package for molecular simulation and trajectory analysis
J. Mol. Mod. 7 (2001) pp. 306-317
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
H. J. C. Berendsen, D. van der Spoel and R. van Drunen
GROMACS: A message-passing parallel molecular dynamics implementation
Comp. Phys. Comm. 91 (1995) pp. 43-56
-------- -------- --- Thank You --- -------- --------


++++ PLEASE CITE THE DOI FOR THIS VERSION OF GROMACS ++++
https://doi.org/10.5281/zenodo.5850051
-------- -------- --- Thank You --- -------- --------

Input Parameters:
   integrator                     = md
   tinit                          = 0
   dt                             = 0.002
   nsteps                         = 250000000
   init-step                      = 0
   simulation-part                = 1
   mts                            = false
   comm-mode                      = Linear
   nstcomm                        = 100
   bd-fric                        = 0
   ld-seed                        = -1141409985
   emtol                          = 10
   emstep                         = 0.01
   niter                          = 20
   fcstep                         = 0
   nstcgsteep                     = 1000
   nbfgscorr                      = 10
   rtpi                           = 0.05
   nstxout                        = 0
   nstvout                        = 0
   nstfout                        = 0
   nstlog                         = 5000
   nstcalcenergy                  = 100
   nstenergy                      = 5000
   nstxout-compressed             = 5000
   compressed-x-precision         = 1000
   cutoff-scheme                  = Verlet
   nstlist                        = 10
   pbc                            = xyz
   periodic-molecules             = false
   verlet-buffer-tolerance        = 0.005
   rlist                          = 1
   coulombtype                    = PME
   coulomb-modifier               = Potential-shift
   rcoulomb-switch                = 0
   rcoulomb                       = 1
   epsilon-r                      = 1
   epsilon-rf                     = inf
   vdw-type                       = Cut-off
   vdw-modifier                   = Potential-shift
   rvdw-switch                    = 0
   rvdw                           = 1
   DispCorr                       = EnerPres
   table-extension                = 1
   fourierspacing                 = 0.16
   fourier-nx                     = 80
   fourier-ny                     = 80
   fourier-nz                     = 80
   pme-order                      = 4
   ewald-rtol                     = 1e-05
   ewald-rtol-lj                  = 0.001
   lj-pme-comb-rule               = Geometric
   ewald-geometry                 = 0
   epsilon-surface                = 0
   tcoupl                         = V-rescale
   nsttcouple                     = 10
   nh-chain-length                = 0
   print-nose-hoover-chain-variables = false
   pcoupl                         = Parrinello-Rahman
   pcoupltype                     = Isotropic
   nstpcouple                     = 10
   tau-p                          = 2
   compressibility (3x3):
      compressibility[    0]={ 4.50000e-05,  0.00000e+00,  0.00000e+00}
      compressibility[    1]={ 0.00000e+00,  4.50000e-05,  0.00000e+00}
      compressibility[    2]={ 0.00000e+00,  0.00000e+00,  4.50000e-05}
   ref-p (3x3):
      ref-p[    0]={ 1.00000e+00,  0.00000e+00,  0.00000e+00}
      ref-p[    1]={ 0.00000e+00,  1.00000e+00,  0.00000e+00}
      ref-p[    2]={ 0.00000e+00,  0.00000e+00,  1.00000e+00}
   refcoord-scaling               = No
   posres-com (3):
      posres-com[0]= 0.00000e+00
      posres-com[1]= 0.00000e+00
      posres-com[2]= 0.00000e+00
   posres-comB (3):
      posres-comB[0]= 0.00000e+00
      posres-comB[1]= 0.00000e+00
      posres-comB[2]= 0.00000e+00
   QMMM                           = false
qm-opts:
   ngQM                           = 0
   constraint-algorithm           = Lincs
   continuation                   = true
   Shake-SOR                      = false
   shake-tol                      = 0.0001
   lincs-order                    = 4
   lincs-iter                     = 1
   lincs-warnangle                = 30
   nwall                          = 0
   wall-type                      = 9-3
   wall-r-linpot                  = -1
   wall-atomtype[0]               = -1
   wall-atomtype[1]               = -1
   wall-density[0]                = 0
   wall-density[1]                = 0
   wall-ewald-zfac                = 3
   pull                           = false
   awh                            = false
   rotation                       = false
   interactiveMD                  = false
   disre                          = No
   disre-weighting                = Conservative
   disre-mixed                    = false
   dr-fc                          = 1000
   dr-tau                         = 0
   nstdisreout                    = 100
   orire-fc                       = 0
   orire-tau                      = 0
   nstorireout                    = 100
   free-energy                    = no
   cos-acceleration               = 0
   deform (3x3):
      deform[    0]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
      deform[    1]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
      deform[    2]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   simulated-tempering            = false
   swapcoords                     = no
   userint1                       = 0
   userint2                       = 0
   userint3                       = 0
   userint4                       = 0
   userreal1                      = 0
   userreal2                      = 0
   userreal3                      = 0
   userreal4                      = 0
   applied-forces:
     electric-field:
       x:
         E0                       = 0
         omega                    = 0
         t0                       = 0
         sigma                    = 0
       y:
         E0                       = 0
         omega                    = 0
         t0                       = 0
         sigma                    = 0
       z:
         E0                       = 0
         omega                    = 0
         t0                       = 0
         sigma                    = 0
     density-guided-simulation:
       active                     = false
       group                      = protein
       similarity-measure         = inner-product
       atom-spreading-weight      = unity
       force-constant             = 1e+09
       gaussian-transform-spreading-width = 0.2
       gaussian-transform-spreading-range-in-multiples-of-width = 4
       reference-density-filename = reference.mrc
       nst                        = 1
       normalize-densities        = true
       adaptive-force-scaling     = false
       adaptive-force-scaling-time-constant = 4
       shift-vector               = 
       transformation-matrix      = 
grpopts:
   nrdf:     19735.8      248292
   ref-t:         313         313
   tau-t:         0.1         0.1
annealing:          No          No
annealing-npoints:           0           0
   acc:	           0           0           0
   nfreeze:           N           N           N
   energygrp-flags[  0]: 0

Changing nstlist from 10 to 100, rlist from 1 to 1.165

1 GPU selected for this run.
Mapping of GPU IDs to the 2 GPU tasks in the 1 rank on this node:
  PP:0,PME:0
PP tasks will do (non-perturbed) short-ranged interactions on the GPU
PP task will update and constrain coordinates on the CPU
PME tasks will do all aspects on the GPU
Using 1 MPI thread
Using 20 OpenMP threads 

Pinning threads with an auto-selected logical core stride of 1
System total charge: 0.000
Will do PME sum in reciprocal space for electrostatic interactions.

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee and L. G. Pedersen 
A smooth particle mesh Ewald method
J. Chem. Phys. 103 (1995) pp. 8577-8592
-------- -------- --- Thank You --- -------- --------

Using a Gaussian width (1/beta) of 0.320163 nm for Ewald
Potential shift: LJ r^-12: -1.000e+00 r^-6: -1.000e+00, Ewald -1.000e-05
Initialized non-bonded Ewald tables, spacing: 9.33e-04 size: 1073

Generated table with 1082 data points for 1-4 COUL.
Tabscale = 500 points/nm
Generated table with 1082 data points for 1-4 LJ6.
Tabscale = 500 points/nm
Generated table with 1082 data points for 1-4 LJ12.
Tabscale = 500 points/nm
Long Range LJ corr.: <C6> 3.1776e-04


Using GPU 8x8 nonbonded short-range kernels

Using a dual 8x8 pair-list setup updated with dynamic, rolling pruning:
  outer list: updated every 100 steps, buffer 0.165 nm, rlist 1.165 nm
  inner list: updated every  10 steps, buffer 0.001 nm, rlist 1.001 nm
At tolerance 0.005 kJ/mol/ps per atom, equivalent classical 1x1 list would be:
  outer list: updated every 100 steps, buffer 0.319 nm, rlist 1.319 nm
  inner list: updated every  10 steps, buffer 0.043 nm, rlist 1.043 nm

Using Lorentz-Berthelot Lennard-Jones combination rule

Initializing LINear Constraint Solver

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
B. Hess and H. Bekker and H. J. C. Berendsen and J. G. E. M. Fraaije
LINCS: A Linear Constraint Solver for molecular simulations
J. Comp. Chem. 18 (1997) pp. 1463-1472
-------- -------- --- Thank You --- -------- --------

The number of constraints is 3898

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Miyamoto and P. A. Kollman
SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid
Water Models
J. Comp. Chem. 13 (1992) pp. 952-962
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
G. Bussi, D. Donadio and M. Parrinello
Canonical sampling through velocity rescaling
J. Chem. Phys. 126 (2007) pp. 014101
-------- -------- --- Thank You --- -------- --------

There are: 132025 Atoms
Center of mass motion removal mode is Linear
We have the following groups for center of mass motion removal:
  0:  rest

Started mdrun on rank 0 Thu Dec  7 04:57:56 2023

           Step           Time
              0        0.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53226e+03    1.82517e+04    1.30072e+04    1.18759e+03   -2.18190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64665e+03    1.05040e+05    2.79603e+05   -1.71619e+04   -2.14702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21913e+04   -1.72490e+06    3.48667e+05   -1.37623e+06   -1.37615e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12915e+02   -2.11317e+02    1.34909e+02    4.25557e-06

step 4300: timed with pme grid 80 80 80, coulomb cutoff 1.000: 433.2 M-cycles
step 4500: timed with pme grid 64 64 64, coulomb cutoff 1.212: 531.6 M-cycles
step 4700: timed with pme grid 72 72 72, coulomb cutoff 1.077: 516.8 M-cycles
step 4900: timed with pme grid 80 80 80, coulomb cutoff 1.000: 431.2 M-cycles
              optimal pme grid 80 80 80, coulomb cutoff 1.000
           Step           Time
           5000       10.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35978e+03    1.86000e+04    1.25491e+04    1.03588e+03   -2.48200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47645e+03    1.04740e+05    2.77908e+05   -1.71797e+04   -2.14899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21562e+04   -1.72982e+06    3.48536e+05   -1.38129e+06   -1.37616e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12797e+02   -2.11754e+02   -5.30428e+01    4.14981e-06

           Step           Time
          10000       20.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47535e+03    1.85730e+04    1.26201e+04    1.04976e+03   -2.67446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46161e+03    1.04673e+05    2.79225e+05   -1.71455e+04   -2.14728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22999e+04   -1.72672e+06    3.48509e+05   -1.37821e+06   -1.37612e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12773e+02   -2.10913e+02    4.64754e+01    4.15177e-06

           Step           Time
          15000       30.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49027e+03    1.83355e+04    1.26421e+04    1.09227e+03   -2.57143e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37558e+03    1.05245e+05    2.77986e+05   -1.71767e+04   -2.14752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22244e+04   -1.72788e+06    3.50334e+05   -1.37754e+06   -1.37607e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14411e+02   -2.11682e+02   -6.71584e+01    4.19742e-06

           Step           Time
          20000       40.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57071e+03    1.82628e+04    1.27031e+04    1.16848e+03   -2.69182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61222e+03    1.04873e+05    2.76042e+05   -1.71324e+04   -2.14501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23408e+04   -1.72726e+06    3.48354e+05   -1.37891e+06   -1.37604e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12634e+02   -2.10591e+02   -1.37990e+02    4.36120e-06

           Step           Time
          25000       50.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60559e+03    1.83013e+04    1.25902e+04    1.12483e+03   -2.63137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51921e+03    1.04749e+05    2.78348e+05   -1.71599e+04   -2.14810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22294e+04   -1.72842e+06    3.48210e+05   -1.38021e+06   -1.37600e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12505e+02   -2.11269e+02    8.42044e+00    4.21456e-06

           Step           Time
          30000       60.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52671e+03    1.86086e+04    1.26049e+04    1.09394e+03   -2.85346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51944e+03    1.05044e+05    2.79278e+05   -1.71340e+04   -2.14770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22412e+04   -1.72677e+06    3.48653e+05   -1.37812e+06   -1.37599e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12903e+02   -2.10630e+02   -1.28708e+01    4.22904e-06

           Step           Time
          35000       70.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57298e+03    1.81201e+04    1.25162e+04    1.12024e+03   -2.68311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54456e+03    1.04731e+05    2.77929e+05   -1.71601e+04   -2.14701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20561e+04   -1.72826e+06    3.49702e+05   -1.37856e+06   -1.37599e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13844e+02   -2.11272e+02   -3.74680e+01    4.20687e-06

           Step           Time
          40000       80.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53071e+03    1.86750e+04    1.24462e+04    1.11228e+03   -2.64628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54549e+03    1.04679e+05    2.80499e+05   -1.71643e+04   -2.14978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20710e+04   -1.72803e+06    3.49156e+05   -1.37888e+06   -1.37590e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13354e+02   -2.11377e+02    6.37334e+01    4.22328e-06

           Step           Time
          45000       90.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49284e+03    1.82880e+04    1.25691e+04    1.04801e+03   -2.66427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58480e+03    1.04681e+05    2.80342e+05   -1.71374e+04   -2.14981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21302e+04   -1.72848e+06    3.48148e+05   -1.38033e+06   -1.37585e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12449e+02   -2.10715e+02    1.24221e+01    4.22521e-06

           Step           Time
          50000      100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41633e+03    1.87656e+04    1.27241e+04    1.12372e+03   -2.69850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58554e+03    1.04763e+05    2.77727e+05   -1.71547e+04   -2.14874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21173e+04   -1.72937e+06    3.47837e+05   -1.38153e+06   -1.37581e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12170e+02   -2.11141e+02   -4.68585e+01    4.23406e-06

           Step           Time
          55000      110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56439e+03    1.83857e+04    1.26700e+04    1.14274e+03   -2.72138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50570e+03    1.04955e+05    2.77423e+05   -1.71557e+04   -2.14676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21060e+04   -1.72788e+06    3.50147e+05   -1.37774e+06   -1.37581e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14243e+02   -2.11164e+02   -7.96990e+01    4.25691e-06

           Step           Time
          60000      120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83182e+03    1.88300e+04    1.24931e+04    1.09806e+03   -2.73593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47323e+03    1.04270e+05    2.80083e+05   -1.71608e+04   -2.14934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21238e+04   -1.72804e+06    3.48094e+05   -1.37994e+06   -1.37574e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12401e+02   -2.11290e+02   -2.95244e+01    4.09598e-06

           Step           Time
          65000      130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54833e+03    1.81570e+04    1.26148e+04    1.15732e+03   -2.63899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49525e+03    1.04326e+05    2.79640e+05   -1.71941e+04   -2.15072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21821e+04   -1.73043e+06    3.47224e+05   -1.38321e+06   -1.37575e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11620e+02   -2.12111e+02    2.03932e+01    4.30996e-06

           Step           Time
          70000      140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67255e+03    1.84931e+04    1.26073e+04    1.10050e+03   -2.85773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60326e+03    1.04489e+05    2.79080e+05   -1.72025e+04   -2.14681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21403e+04   -1.72668e+06    3.48506e+05   -1.37817e+06   -1.37572e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12771e+02   -2.12317e+02    4.57818e+01    4.24566e-06

           Step           Time
          75000      150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68568e+03    1.82303e+04    1.26170e+04    1.14226e+03   -2.72597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56121e+03    1.03889e+05    2.77055e+05   -1.71544e+04   -2.14591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20496e+04   -1.72856e+06    3.49111e+05   -1.37945e+06   -1.37569e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13314e+02   -2.11132e+02   -1.15495e+02    4.12291e-06

           Step           Time
          80000      160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73877e+03    1.84259e+04    1.25967e+04    1.10954e+03   -2.66579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51866e+03    1.04490e+05    2.77031e+05   -1.71780e+04   -2.14782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22812e+04   -1.72947e+06    3.49700e+05   -1.37977e+06   -1.37567e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13842e+02   -2.11713e+02   -1.06332e+02    4.24677e-06

           Step           Time
          85000      170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42014e+03    1.88567e+04    1.25892e+04    1.09610e+03   -2.77667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61905e+03    1.03797e+05    2.77247e+05   -1.71206e+04   -2.14407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21981e+04   -1.72614e+06    3.49589e+05   -1.37655e+06   -1.37562e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13743e+02   -2.10302e+02   -2.29107e+01    4.08731e-06

           Step           Time
          90000      180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61034e+03    1.85417e+04    1.25202e+04    1.09829e+03   -2.62848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49496e+03    1.04670e+05    2.77499e+05   -1.71924e+04   -2.14653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20484e+04   -1.72787e+06    3.49659e+05   -1.37821e+06   -1.37556e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13805e+02   -2.12068e+02   -2.67164e+01    4.25605e-06

           Step           Time
          95000      190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58992e+03    1.85747e+04    1.25560e+04    1.15665e+03   -2.74523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40163e+03    1.04664e+05    2.78702e+05   -1.71794e+04   -2.14564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22727e+04   -1.72565e+06    3.48724e+05   -1.37692e+06   -1.37551e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12966e+02   -2.11749e+02   -2.12101e+01    4.34385e-06

           Step           Time
         100000      200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71664e+03    1.86332e+04    1.25653e+04    1.11977e+03   -2.75194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51788e+03    1.04141e+05    2.79852e+05   -1.71660e+04   -2.15076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21551e+04   -1.72998e+06    3.48578e+05   -1.38140e+06   -1.37551e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12835e+02   -2.11418e+02    1.73939e+01    4.31292e-06

           Step           Time
         105000      210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93876e+03    1.82327e+04    1.25847e+04    1.08871e+03   -2.73927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60651e+03    1.04361e+05    2.74811e+05   -1.71022e+04   -2.14285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24636e+04   -1.72660e+06    3.49343e+05   -1.37726e+06   -1.37552e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13522e+02   -2.09851e+02   -2.17342e+02    4.37604e-06

           Step           Time
         110000      220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52795e+03    1.83405e+04    1.26925e+04    1.16084e+03   -2.67807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40728e+03    1.04135e+05    2.78799e+05   -1.71596e+04   -2.14814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19372e+04   -1.72897e+06    3.48414e+05   -1.38056e+06   -1.37548e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12688e+02   -2.11262e+02   -6.10441e+01    4.21018e-06

           Step           Time
         115000      230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51445e+03    1.84383e+04    1.24807e+04    1.14764e+03   -2.68891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60413e+03    1.04254e+05    2.78506e+05   -1.71687e+04   -2.14630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23356e+04   -1.72688e+06    3.49144e+05   -1.37774e+06   -1.37546e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13343e+02   -2.11484e+02    2.60712e+01    4.23625e-06

           Step           Time
         120000      240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55483e+03    1.82745e+04    1.25702e+04    1.06294e+03   -2.73529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49462e+03    1.04551e+05    2.81176e+05   -1.71468e+04   -2.15354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22061e+04   -1.73153e+06    3.48119e+05   -1.38341e+06   -1.37539e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12423e+02   -2.10945e+02   -4.33083e+00    4.15415e-06

           Step           Time
         125000      250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.06155e+03    1.87078e+04    1.26466e+04    1.12935e+03   -2.73979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69108e+03    1.04570e+05    2.78899e+05   -1.71783e+04   -2.14790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19680e+04   -1.72815e+06    3.46501e+05   -1.38165e+06   -1.37536e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10971e+02   -2.11721e+02    1.02720e+02    4.13313e-06

           Step           Time
         130000      260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64431e+03    1.86880e+04    1.25513e+04    1.00926e+03   -2.87221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53552e+03    1.04134e+05    2.78252e+05   -1.71569e+04   -2.14355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22462e+04   -1.72452e+06    3.50235e+05   -1.37428e+06   -1.37534e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14323e+02   -2.11193e+02   -5.76709e+00    4.29668e-06

           Step           Time
         135000      270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72528e+03    1.83286e+04    1.27227e+04    1.13865e+03   -2.74095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63349e+03    1.04396e+05    2.79482e+05   -1.71444e+04   -2.14546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21617e+04   -1.72476e+06    3.48449e+05   -1.37631e+06   -1.37525e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12720e+02   -2.10886e+02    7.24131e+01    4.26479e-06

           Step           Time
         140000      280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87778e+03    1.84567e+04    1.26412e+04    1.10342e+03   -2.74341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46288e+03    1.04320e+05    2.80526e+05   -1.72000e+04   -2.15034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19149e+04   -1.72898e+06    3.48970e+05   -1.38001e+06   -1.37523e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13187e+02   -2.12255e+02    9.51284e+01    4.35774e-06

           Step           Time
         145000      290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57333e+03    1.85324e+04    1.25444e+04    1.09853e+03   -2.82786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56108e+03    1.04960e+05    2.79501e+05   -1.72050e+04   -2.14843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20397e+04   -1.72766e+06    3.46894e+05   -1.38076e+06   -1.37514e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11324e+02   -2.12379e+02    5.18450e+01    4.18631e-06

           Step           Time
         150000      300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70472e+03    1.83971e+04    1.24081e+04    1.08085e+03   -2.82289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48185e+03    1.04224e+05    2.80567e+05   -1.71533e+04   -2.14882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20646e+04   -1.72787e+06    3.49124e+05   -1.37875e+06   -1.37515e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13325e+02   -2.11107e+02    4.52272e+01    4.39492e-06

           Step           Time
         155000      310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66966e+03    1.87525e+04    1.26689e+04    1.08075e+03   -2.72677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55744e+03    1.04005e+05    2.81528e+05   -1.71987e+04   -2.15303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21096e+04   -1.73058e+06    3.49726e+05   -1.38085e+06   -1.37510e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13865e+02   -2.12224e+02    7.01411e+01    4.30583e-06

           Step           Time
         160000      320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83547e+03    1.85026e+04    1.26970e+04    1.08427e+03   -2.84761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44656e+03    1.04246e+05    2.80452e+05   -1.71461e+04   -2.14841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21059e+04   -1.72703e+06    3.48992e+05   -1.37804e+06   -1.37510e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13207e+02   -2.10930e+02    9.29839e-02    4.15893e-06

           Step           Time
         165000      330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64730e+03    1.86011e+04    1.24968e+04    1.18820e+03   -2.81787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51688e+03    1.04527e+05    2.79072e+05   -1.71207e+04   -2.14843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20043e+04   -1.72831e+06    3.49202e+05   -1.37911e+06   -1.37503e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13395e+02   -2.10304e+02   -7.64013e+01    4.10086e-06

           Step           Time
         170000      340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58619e+03    1.83518e+04    1.24575e+04    1.10542e+03   -2.81467e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56765e+03    1.04362e+05    2.76999e+05   -1.71590e+04   -2.14781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21035e+04   -1.73025e+06    3.48655e+05   -1.38160e+06   -1.37504e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12905e+02   -2.11245e+02   -1.33142e+02    4.28954e-06

           Step           Time
         175000      350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48785e+03    1.84120e+04    1.26212e+04    1.10704e+03   -2.81683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43055e+03    1.04408e+05    2.79634e+05   -1.71667e+04   -2.15153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20985e+04   -1.73132e+06    3.48159e+05   -1.38316e+06   -1.37495e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12459e+02   -2.11435e+02   -5.63339e+01    4.21737e-06

           Step           Time
         180000      360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69551e+03    1.84756e+04    1.25600e+04    1.13563e+03   -2.80133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52738e+03    1.04039e+05    2.77831e+05   -1.71612e+04   -2.14706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20826e+04   -1.72868e+06    3.48265e+05   -1.38041e+06   -1.37494e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12554e+02   -2.11300e+02   -4.27506e+01    4.11147e-06

           Step           Time
         185000      370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60959e+03    1.84168e+04    1.24455e+04    1.14949e+03   -2.75157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47299e+03    1.04575e+05    2.77254e+05   -1.71308e+04   -2.14671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22036e+04   -1.72846e+06    3.49111e+05   -1.37935e+06   -1.37486e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13314e+02   -2.10553e+02   -7.79843e+01    4.16918e-06

           Step           Time
         190000      380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51617e+03    1.87053e+04    1.25039e+04    1.12052e+03   -2.83199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53115e+03    1.04522e+05    2.79273e+05   -1.71472e+04   -2.14925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20289e+04   -1.72903e+06    3.49883e+05   -1.37915e+06   -1.37484e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14007e+02   -2.10955e+02   -3.22045e+01    4.20712e-06

           Step           Time
         195000      390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59452e+03    1.87392e+04    1.24675e+04    1.01269e+03   -2.76591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56682e+03    1.04587e+05    2.78157e+05   -1.71593e+04   -2.14752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21025e+04   -1.72822e+06    3.50512e+05   -1.37771e+06   -1.37481e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14571e+02   -2.11252e+02    1.03231e+01    4.37920e-06

           Step           Time
         200000      400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51691e+03    1.83764e+04    1.25723e+04    1.13349e+03   -2.86747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61326e+03    1.04350e+05    2.79316e+05   -1.71751e+04   -2.14925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21146e+04   -1.72930e+06    3.49041e+05   -1.38026e+06   -1.37484e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13250e+02   -2.11643e+02    1.37964e+01    4.16283e-06

           Step           Time
         205000      410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21845e+03    1.83546e+04    1.25994e+04    1.07686e+03   -2.74876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53301e+03    1.03973e+05    2.80815e+05   -1.71820e+04   -2.15104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23224e+04   -1.73008e+06    3.49453e+05   -1.38063e+06   -1.37482e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13621e+02   -2.11813e+02    9.05052e+01    4.20794e-06

           Step           Time
         210000      420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66572e+03    1.84782e+04    1.25563e+04    1.19580e+03   -2.76986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40553e+03    1.04045e+05    2.78525e+05   -1.71178e+04   -2.14588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23277e+04   -1.72657e+06    3.50251e+05   -1.37632e+06   -1.37475e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14337e+02   -2.10234e+02   -3.07885e+01    4.16221e-06

           Step           Time
         215000      430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61311e+03    1.80907e+04    1.25856e+04    1.09169e+03   -2.71321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44937e+03    1.04290e+05    2.77693e+05   -1.71794e+04   -2.14899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21451e+04   -1.73092e+06    3.49251e+05   -1.38167e+06   -1.37472e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13440e+02   -2.11748e+02   -1.59772e+02    4.30485e-06

           Step           Time
         220000      440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41143e+03    1.85117e+04    1.23338e+04    1.04414e+03   -2.78576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51871e+03    1.04291e+05    2.78519e+05   -1.71502e+04   -2.14769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21794e+04   -1.72881e+06    3.50210e+05   -1.37860e+06   -1.37467e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14300e+02   -2.11028e+02   -1.57543e+01    4.34360e-06

           Step           Time
         225000      450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57845e+03    1.81245e+04    1.24127e+04    1.08734e+03   -2.75046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54881e+03    1.04213e+05    2.79039e+05   -1.71945e+04   -2.14934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22227e+04   -1.73005e+06    3.48026e+05   -1.38203e+06   -1.37463e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12340e+02   -2.12121e+02   -8.06954e+00    4.12361e-06

           Step           Time
         230000      460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67266e+03    1.81547e+04    1.26740e+04    1.17620e+03   -2.84208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78530e+03    1.03792e+05    2.78754e+05   -1.71273e+04   -2.14790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21925e+04   -1.72867e+06    3.48659e+05   -1.38001e+06   -1.37458e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12908e+02   -2.10468e+02   -6.78649e+01    4.23815e-06

           Step           Time
         235000      470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45458e+03    1.81734e+04    1.25653e+04    1.11328e+03   -2.70559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61721e+03    1.04420e+05    2.80261e+05   -1.71384e+04   -2.14974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22468e+04   -1.72873e+06    3.48105e+05   -1.38062e+06   -1.37455e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12411e+02   -2.10739e+02    8.32417e+01    4.18341e-06

           Step           Time
         240000      480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42332e+03    1.85344e+04    1.24923e+04    1.04186e+03   -2.77915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58521e+03    1.04198e+05    2.79573e+05   -1.71568e+04   -2.14983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22068e+04   -1.72971e+06    3.49910e+05   -1.37980e+06   -1.37450e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14031e+02   -2.11192e+02    2.81410e+01    4.10345e-06

           Step           Time
         245000      490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69570e+03    1.80886e+04    1.24305e+04    1.11806e+03   -2.61723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50859e+03    1.05230e+05    2.79626e+05   -1.72100e+04   -2.15153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21703e+04   -1.73049e+06    3.48268e+05   -1.38222e+06   -1.37443e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12557e+02   -2.12502e+02   -4.12269e+01    3.98220e-06

           Step           Time
         250000      500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43535e+03    1.82131e+04    1.24245e+04    1.11513e+03   -2.71179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39480e+03    1.04530e+05    2.81653e+05   -1.72125e+04   -2.15421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21728e+04   -1.73220e+06    3.49216e+05   -1.38298e+06   -1.37448e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13408e+02   -2.12564e+02    5.70310e+01    4.25596e-06

           Step           Time
         255000      510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67172e+03    1.83301e+04    1.25233e+04    1.04333e+03   -2.66534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55280e+03    1.04381e+05    2.79215e+05   -1.71565e+04   -2.14863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20915e+04   -1.72865e+06    3.48183e+05   -1.38046e+06   -1.37438e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12480e+02   -2.11185e+02    3.63981e+01    4.14527e-06

           Step           Time
         260000      520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60769e+03    1.82402e+04    1.23378e+04    1.07581e+03   -2.77911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46588e+03    1.04299e+05    2.79029e+05   -1.71739e+04   -2.15066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19997e+04   -1.73156e+06    3.49309e+05   -1.38225e+06   -1.37443e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13492e+02   -2.11612e+02   -9.62382e+01    4.30129e-06

           Step           Time
         265000      530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53972e+03    1.83615e+04    1.22823e+04    1.08243e+03   -2.68254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54393e+03    1.04587e+05    2.74057e+05   -1.71118e+04   -2.14387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21294e+04   -1.72909e+06    3.48717e+05   -1.38037e+06   -1.37439e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12960e+02   -2.10087e+02   -2.73286e+02    4.27273e-06

           Step           Time
         270000      540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45496e+03    1.82351e+04    1.24709e+04    1.11466e+03   -2.77568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68521e+03    1.04694e+05    2.81641e+05   -1.71597e+04   -2.15143e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20234e+04   -1.72904e+06    3.48765e+05   -1.38028e+06   -1.37434e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13003e+02   -2.11263e+02    1.98181e+02    4.02092e-06

           Step           Time
         275000      550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57190e+03    1.82007e+04    1.24695e+04    1.10406e+03   -2.75513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48480e+03    1.04442e+05    2.81943e+05   -1.71862e+04   -2.15295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20788e+04   -1.73060e+06    3.48845e+05   -1.38175e+06   -1.37431e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13074e+02   -2.11916e+02    8.31946e+01    4.28098e-06

           Step           Time
         280000      560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83202e+03    1.86741e+04    1.24694e+04    1.10190e+03   -2.75692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40858e+03    1.04275e+05    2.80356e+05   -1.71679e+04   -2.15284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21414e+04   -1.73150e+06    3.50631e+05   -1.38087e+06   -1.37430e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14678e+02   -2.11466e+02   -8.01058e+01    4.16764e-06

           Step           Time
         285000      570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62254e+03    1.85554e+04    1.24056e+04    1.03811e+03   -2.84428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54942e+03    1.04793e+05    2.78496e+05   -1.71848e+04   -2.14880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20580e+04   -1.72932e+06    3.49064e+05   -1.38025e+06   -1.37425e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13271e+02   -2.11880e+02    2.63165e+01    4.27349e-06

           Step           Time
         290000      580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93504e+03    1.79618e+04    1.24761e+04    1.13501e+03   -2.73852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43753e+03    1.04259e+05    2.77112e+05   -1.71224e+04   -2.14708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20920e+04   -1.72953e+06    3.47817e+05   -1.38171e+06   -1.37423e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12153e+02   -2.10346e+02   -2.22282e+02    4.31299e-06

           Step           Time
         295000      590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72509e+03    1.79236e+04    1.24039e+04    1.05341e+03   -2.63580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45190e+03    1.05026e+05    2.79122e+05   -1.71908e+04   -2.15054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21432e+04   -1.73052e+06    3.49653e+05   -1.38087e+06   -1.37417e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13800e+02   -2.12029e+02   -2.26433e+01    4.05519e-06

           Step           Time
         300000      600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39888e+03    1.82324e+04    1.25015e+04    1.11064e+03   -2.69589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71051e+03    1.04420e+05    2.78852e+05   -1.71795e+04   -2.14826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23256e+04   -1.72859e+06    3.47440e+05   -1.38115e+06   -1.37409e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11813e+02   -2.11749e+02    6.36906e+01    4.36099e-06

           Step           Time
         305000      610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28025e+03    1.81492e+04    1.25771e+04    1.09868e+03   -2.79208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60583e+03    1.04644e+05    2.80068e+05   -1.72053e+04   -2.15203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20432e+04   -1.73156e+06    3.48150e+05   -1.38341e+06   -1.37409e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12451e+02   -2.12387e+02    9.33452e+01    4.06174e-06

           Step           Time
         310000      620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70652e+03    1.82121e+04    1.25886e+04    1.13028e+03   -2.74678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55451e+03    1.04394e+05    2.81319e+05   -1.71867e+04   -2.15018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22391e+04   -1.72797e+06    3.49005e+05   -1.37897e+06   -1.37399e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13218e+02   -2.11928e+02    1.22351e+02    4.38034e-06

           Step           Time
         315000      630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55743e+03    1.86534e+04    1.23647e+04    1.09541e+03   -2.57822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53559e+03    1.04441e+05    2.79729e+05   -1.71543e+04   -2.14826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20880e+04   -1.72752e+06    3.49659e+05   -1.37786e+06   -1.37398e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13806e+02   -2.11131e+02    3.38612e+01    4.22008e-06

           Step           Time
         320000      640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66435e+03    1.81407e+04    1.26914e+04    1.13674e+03   -2.71820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45810e+03    1.04310e+05    2.79243e+05   -1.72013e+04   -2.14988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21736e+04   -1.72998e+06    3.50101e+05   -1.37988e+06   -1.37398e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14202e+02   -2.12288e+02   -8.93070e+00    4.21946e-06

           Step           Time
         325000      650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55870e+03    1.87403e+04    1.25452e+04    1.10892e+03   -2.77803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45067e+03    1.04324e+05    2.80908e+05   -1.71686e+04   -2.14947e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20274e+04   -1.72775e+06    3.48658e+05   -1.37909e+06   -1.37392e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12907e+02   -2.11481e+02    4.95544e+01    4.23034e-06

           Step           Time
         330000      660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64070e+03    1.82758e+04    1.22756e+04    1.09848e+03   -2.76822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36927e+03    1.04499e+05    2.80081e+05   -1.72068e+04   -2.15084e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22056e+04   -1.73037e+06    3.46982e+05   -1.38339e+06   -1.37392e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11403e+02   -2.12423e+02   -2.63207e+01    4.12135e-06

           Step           Time
         335000      670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72861e+03    1.84127e+04    1.25248e+04    1.08583e+03   -2.77166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51491e+03    1.04486e+05    2.77917e+05   -1.71578e+04   -2.14876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23038e+04   -1.72972e+06    3.49251e+05   -1.38047e+06   -1.37385e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13439e+02   -2.11217e+02   -4.98884e+01    4.37130e-06

           Step           Time
         340000      680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24468e+03    1.85761e+04    1.25292e+04    1.02525e+03   -2.89265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59047e+03    1.04229e+05    2.80992e+05   -1.71868e+04   -2.15092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21268e+04   -1.72968e+06    3.48359e+05   -1.38132e+06   -1.37384e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12639e+02   -2.11929e+02    1.29924e+02    4.22556e-06

           Step           Time
         345000      690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57371e+03    1.86406e+04    1.25151e+04    1.05252e+03   -2.74687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50780e+03    1.04417e+05    2.79252e+05   -1.71842e+04   -2.15101e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20963e+04   -1.73089e+06    3.49467e+05   -1.38142e+06   -1.37376e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13633e+02   -2.11866e+02   -4.73540e+01    4.18880e-06

           Step           Time
         350000      700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51583e+03    1.83915e+04    1.26533e+04    1.06814e+03   -2.81361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47239e+03    1.04549e+05    2.78399e+05   -1.71788e+04   -2.15078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20470e+04   -1.73168e+06    3.47268e+05   -1.38441e+06   -1.37376e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11659e+02   -2.11733e+02   -4.90898e+01    4.20967e-06

           Step           Time
         355000      710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73238e+03    1.84114e+04    1.27309e+04    1.17407e+03   -2.82385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38366e+03    1.04621e+05    2.76189e+05   -1.71278e+04   -2.14546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20729e+04   -1.72810e+06    3.47521e+05   -1.38058e+06   -1.37371e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11887e+02   -2.10480e+02   -2.09305e+02    4.20604e-06

           Step           Time
         360000      720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60622e+03    1.83439e+04    1.24949e+04    1.14366e+03   -2.69169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60155e+03    1.04654e+05    2.79394e+05   -1.71578e+04   -2.14882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23865e+04   -1.72804e+06    3.49368e+05   -1.37867e+06   -1.37370e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13545e+02   -2.11217e+02   -8.53050e+00    4.08746e-06

           Step           Time
         365000      730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61310e+03    1.83896e+04    1.25479e+04    1.05782e+03   -2.76813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64549e+03    1.04312e+05    2.79787e+05   -1.71351e+04   -2.14895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21753e+04   -1.72833e+06    3.49155e+05   -1.37917e+06   -1.37371e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13353e+02   -2.10659e+02    5.47416e+01    4.07698e-06

           Step           Time
         370000      740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67038e+03    1.85519e+04    1.23978e+04    1.03812e+03   -2.70246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41434e+03    1.04429e+05    2.78876e+05   -1.71943e+04   -2.14856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20421e+04   -1.72904e+06    3.47891e+05   -1.38115e+06   -1.37365e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12219e+02   -2.12116e+02    2.58900e+01    4.06257e-06

           Step           Time
         375000      750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36400e+03    1.84748e+04    1.24674e+04    1.07865e+03   -2.76432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46929e+03    1.05003e+05    2.80085e+05   -1.71820e+04   -2.14952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22352e+04   -1.72829e+06    3.49666e+05   -1.37863e+06   -1.37365e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13812e+02   -2.11812e+02    5.70014e+01    4.15267e-06

           Step           Time
         380000      760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87011e+03    1.84985e+04    1.25743e+04    1.07408e+03   -2.76665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56243e+03    1.04565e+05    2.78597e+05   -1.71585e+04   -2.14739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21372e+04   -1.72744e+06    3.47066e+05   -1.38037e+06   -1.37355e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11479e+02   -2.11233e+02    1.07042e+01    4.14660e-06

           Step           Time
         385000      770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61329e+03    1.82303e+04    1.25100e+04    1.19498e+03   -2.70841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48559e+03    1.04976e+05    2.79394e+05   -1.71812e+04   -2.15038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22111e+04   -1.72966e+06    3.48993e+05   -1.38067e+06   -1.37359e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13208e+02   -2.11793e+02   -2.20187e+01    4.16961e-06

           Step           Time
         390000      780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51826e+03    1.84825e+04    1.25124e+04    1.09409e+03   -2.81092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50031e+03    1.04544e+05    2.78475e+05   -1.71755e+04   -2.14788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20869e+04   -1.72865e+06    3.50229e+05   -1.37842e+06   -1.37355e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14317e+02   -2.11652e+02   -2.50188e+01    4.29392e-06

           Step           Time
         395000      790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68331e+03    1.84418e+04    1.26515e+04    1.06487e+03   -2.84603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61201e+03    1.04572e+05    2.79008e+05   -1.71941e+04   -2.14866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21240e+04   -1.72854e+06    3.48972e+05   -1.37957e+06   -1.37349e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13189e+02   -2.12111e+02    5.38597e+01    4.16488e-06

           Step           Time
         400000      800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72600e+03    1.82228e+04    1.24045e+04    1.13456e+03   -2.58953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45274e+03    1.04613e+05    2.81170e+05   -1.71632e+04   -2.15293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21097e+04   -1.73085e+06    3.49077e+05   -1.38178e+06   -1.37346e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13283e+02   -2.11349e+02   -8.32396e+00    4.26457e-06

           Step           Time
         405000      810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61361e+03    1.85068e+04    1.25023e+04    1.06893e+03   -2.84849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45353e+03    1.04562e+05    2.77305e+05   -1.71445e+04   -2.14800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21955e+04   -1.72979e+06    3.48912e+05   -1.38088e+06   -1.37344e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13135e+02   -2.10889e+02   -1.11461e+02    4.12837e-06

           Step           Time
         410000      820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49289e+03    1.88096e+04    1.25915e+04    1.13551e+03   -2.72830e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58214e+03    1.04403e+05    2.79161e+05   -1.71612e+04   -2.14678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22231e+04   -1.72627e+06    3.48652e+05   -1.37762e+06   -1.37340e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12901e+02   -2.11300e+02    5.30653e+01    4.07418e-06

           Step           Time
         415000      830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47921e+03    1.87167e+04    1.24112e+04    1.12978e+03   -2.81581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53155e+03    1.04583e+05    2.76502e+05   -1.71257e+04   -2.14487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20249e+04   -1.72743e+06    3.48277e+05   -1.37916e+06   -1.37336e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12565e+02   -2.10428e+02   -1.29401e+02    4.28667e-06

           Step           Time
         420000      840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49264e+03    1.79359e+04    1.25712e+04    1.10162e+03   -2.67893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51851e+03    1.04988e+05    2.79106e+05   -1.71572e+04   -2.14922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21112e+04   -1.72923e+06    3.48527e+05   -1.38071e+06   -1.37335e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12790e+02   -2.11203e+02    2.32452e+01    4.09701e-06

           Step           Time
         425000      850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57579e+03    1.82326e+04    1.26906e+04    1.07023e+03   -2.75791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49747e+03    1.04151e+05    2.79599e+05   -1.71978e+04   -2.15090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20321e+04   -1.73101e+06    3.49304e+05   -1.38170e+06   -1.37333e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13487e+02   -2.12200e+02    4.07575e+01    4.25226e-06

           Step           Time
         430000      860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60661e+03    1.85264e+04    1.25142e+04    1.14976e+03   -2.81948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48826e+03    1.03974e+05    2.78392e+05   -1.71656e+04   -2.14838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20713e+04   -1.72964e+06    3.49078e+05   -1.38057e+06   -1.37327e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13284e+02   -2.11409e+02   -4.16694e+01    4.07550e-06

           Step           Time
         435000      870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48018e+03    1.81586e+04    1.25859e+04    1.07189e+03   -2.82820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64351e+03    1.04673e+05    2.79222e+05   -1.71589e+04   -2.15100e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19073e+04   -1.73124e+06    3.48048e+05   -1.38319e+06   -1.37324e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12360e+02   -2.11244e+02   -4.17899e+01    4.05710e-06

           Step           Time
         440000      880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59582e+03    1.85792e+04    1.26255e+04    1.07809e+03   -2.72517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54932e+03    1.04776e+05    2.79232e+05   -1.71381e+04   -2.14879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21162e+04   -1.72810e+06    3.48290e+05   -1.37981e+06   -1.37321e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12577e+02   -2.10733e+02   -1.03897e+01    4.13526e-06

           Step           Time
         445000      890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50922e+03    1.82616e+04    1.25576e+04    1.01612e+03   -2.78399e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42243e+03    1.04560e+05    2.78678e+05   -1.71571e+04   -2.14936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21388e+04   -1.73015e+06    3.48565e+05   -1.38159e+06   -1.37320e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12824e+02   -2.11199e+02   -5.12814e+01    4.13527e-06

           Step           Time
         450000      900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60553e+03    1.81638e+04    1.25539e+04    1.11513e+03   -2.66220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52537e+03    1.04514e+05    2.81920e+05   -1.71807e+04   -2.15218e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21523e+04   -1.72948e+06    3.49277e+05   -1.38020e+06   -1.37319e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13462e+02   -2.11779e+02    8.29037e+01    4.20738e-06

           Step           Time
         455000      910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66542e+03    1.83257e+04    1.25005e+04    1.18068e+03   -2.81064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54432e+03    1.04862e+05    2.79232e+05   -1.71853e+04   -2.15009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22264e+04   -1.72955e+06    3.47429e+05   -1.38212e+06   -1.37311e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11804e+02   -2.11893e+02   -1.00314e+00    4.10324e-06

           Step           Time
         460000      920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69969e+03    1.84218e+04    1.25693e+04    1.10987e+03   -2.84365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53594e+03    1.04593e+05    2.81832e+05   -1.71450e+04   -2.15106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20900e+04   -1.72820e+06    3.47715e+05   -1.38048e+06   -1.37313e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12061e+02   -2.10901e+02    4.78291e+01    4.06575e-06

           Step           Time
         465000      930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54018e+03    1.85479e+04    1.27203e+04    1.16201e+03   -2.73163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48661e+03    1.05002e+05    2.77821e+05   -1.71321e+04   -2.14775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20421e+04   -1.72829e+06    3.49480e+05   -1.37881e+06   -1.37310e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13645e+02   -2.10584e+02   -6.48612e+01    4.29242e-06

           Step           Time
         470000      940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69769e+03    1.82936e+04    1.25465e+04    1.11529e+03   -2.78467e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48801e+03    1.04694e+05    2.78779e+05   -1.71746e+04   -2.14658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18823e+04   -1.72705e+06    3.48911e+05   -1.37814e+06   -1.37306e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13134e+02   -2.11628e+02    3.93541e+00    4.19288e-06

           Step           Time
         475000      950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65871e+03    1.85606e+04    1.26040e+04    1.02296e+03   -2.83771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48850e+03    1.04960e+05    2.79822e+05   -1.71751e+04   -2.15002e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21662e+04   -1.72875e+06    3.48473e+05   -1.38028e+06   -1.37304e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12741e+02   -2.11641e+02    2.82381e+00    4.11258e-06

           Step           Time
         480000      960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24761e+03    1.83402e+04    1.23928e+04    1.07317e+03   -2.66497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61154e+03    1.04789e+05    2.80505e+05   -1.71528e+04   -2.15031e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22740e+04   -1.72890e+06    3.48502e+05   -1.38040e+06   -1.37298e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12767e+02   -2.11093e+02    5.47727e+01    4.37587e-06

           Step           Time
         485000      970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61838e+03    1.84301e+04    1.24210e+04    1.05028e+03   -2.78289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49135e+03    1.05027e+05    2.78833e+05   -1.71569e+04   -2.14849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20841e+04   -1.72847e+06    3.48963e+05   -1.37951e+06   -1.37294e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13180e+02   -2.11195e+02   -3.51813e+01    4.12430e-06

           Step           Time
         490000      980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54011e+03    1.84593e+04    1.26750e+04    1.05194e+03   -2.83330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56229e+03    1.04710e+05    2.78802e+05   -1.71460e+04   -2.14714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19872e+04   -1.72733e+06    3.48122e+05   -1.37921e+06   -1.37291e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12426e+02   -2.10927e+02    8.42245e+00    4.17876e-06

           Step           Time
         495000      990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56574e+03    1.82807e+04    1.25184e+04    1.04102e+03   -2.82285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60253e+03    1.05210e+05    2.78468e+05   -1.72091e+04   -2.14766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20348e+04   -1.72797e+06    3.49164e+05   -1.37880e+06   -1.37292e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13361e+02   -2.12480e+02    4.56910e+01    4.18340e-06

           Step           Time
         500000     1000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40956e+03    1.82298e+04    1.24234e+04    1.10325e+03   -2.70704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59948e+03    1.04889e+05    2.79314e+05   -1.71508e+04   -2.15139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20262e+04   -1.73125e+06    3.48416e+05   -1.38284e+06   -1.37286e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12689e+02   -2.11045e+02   -5.62159e+01    4.12030e-06

           Step           Time
         505000     1010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51842e+03    1.84008e+04    1.25214e+04    1.10257e+03   -2.78468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43590e+03    1.04991e+05    2.80733e+05   -1.71707e+04   -2.15046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21934e+04   -1.72852e+06    3.48480e+05   -1.38004e+06   -1.37283e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12748e+02   -2.11534e+02    7.17031e+01    4.06167e-06

           Step           Time
         510000     1020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23104e+03    1.81236e+04    1.25142e+04    1.14032e+03   -2.77160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61812e+03    1.05166e+05    2.76946e+05   -1.71940e+04   -2.14811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20395e+04   -1.73030e+06    3.49069e+05   -1.38123e+06   -1.37282e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13276e+02   -2.12107e+02    2.97953e-01    3.98059e-06

           Step           Time
         515000     1030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27601e+03    1.85574e+04    1.23941e+04    1.01823e+03   -2.78925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52517e+03    1.05203e+05    2.78243e+05   -1.71029e+04   -2.14773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22919e+04   -1.72811e+06    3.47780e+05   -1.38033e+06   -1.37275e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12119e+02   -2.09870e+02   -7.77241e+01    4.25061e-06

           Step           Time
         520000     1040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57892e+03    1.83320e+04    1.23738e+04    1.08987e+03   -2.81133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53778e+03    1.04919e+05    2.79219e+05   -1.71613e+04   -2.15071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20868e+04   -1.73054e+06    3.48269e+05   -1.38227e+06   -1.37272e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12558e+02   -2.11303e+02   -1.13729e+01    4.17941e-06

           Step           Time
         525000     1050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70182e+03    1.80504e+04    1.25651e+04    1.11041e+03   -2.85381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57223e+03    1.04489e+05    2.80157e+05   -1.71337e+04   -2.15030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23190e+04   -1.72933e+06    3.48445e+05   -1.38088e+06   -1.37269e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12716e+02   -2.10623e+02    3.09919e+01    4.12607e-06

           Step           Time
         530000     1060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44188e+03    1.82067e+04    1.27051e+04    1.06435e+03   -2.84858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45571e+03    1.05206e+05    2.81429e+05   -1.71477e+04   -2.15506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21333e+04   -1.73241e+06    3.48080e+05   -1.38433e+06   -1.37266e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12389e+02   -2.10967e+02   -2.13867e+01    3.99479e-06

           Step           Time
         535000     1070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61100e+03    1.82350e+04    1.24721e+04    1.09480e+03   -2.83132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53833e+03    1.04426e+05    2.79811e+05   -1.71378e+04   -2.14798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22564e+04   -1.72751e+06    3.47174e+05   -1.38033e+06   -1.37265e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11575e+02   -2.10726e+02    2.87987e+01    3.99234e-06

           Step           Time
         540000     1080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61168e+03    1.82697e+04    1.25478e+04    1.16001e+03   -2.81465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49304e+03    1.05304e+05    2.81247e+05   -1.71530e+04   -2.15100e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21073e+04   -1.72822e+06    3.49564e+05   -1.37866e+06   -1.37258e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13720e+02   -2.11099e+02    2.94687e+01    4.19993e-06

           Step           Time
         545000     1090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28239e+03    1.84905e+04    1.25437e+04    1.06194e+03   -2.85623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56107e+03    1.05367e+05    2.81523e+05   -1.71812e+04   -2.15390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19503e+04   -1.73116e+06    3.50881e+05   -1.38028e+06   -1.37258e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14902e+02   -2.11792e+02    9.48535e+01    4.17709e-06

           Step           Time
         550000     1100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49636e+03    1.85070e+04    1.26050e+04    1.10418e+03   -2.83679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47241e+03    1.04403e+05    2.79053e+05   -1.71661e+04   -2.14866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22274e+04   -1.72879e+06    3.48349e+05   -1.38045e+06   -1.37257e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12630e+02   -2.11420e+02   -1.26766e+01    4.28592e-06

           Step           Time
         555000     1110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74226e+03    1.82976e+04    1.25627e+04    1.20029e+03   -2.85936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52475e+03    1.04882e+05    2.80216e+05   -1.72043e+04   -2.15091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20476e+04   -1.72950e+06    3.49625e+05   -1.37987e+06   -1.37245e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13775e+02   -2.12361e+02    9.86645e+01    4.24197e-06

           Step           Time
         560000     1120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63879e+03    1.84834e+04    1.27072e+04    1.11344e+03   -2.76465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68457e+03    1.04544e+05    2.77730e+05   -1.71725e+04   -2.14485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20497e+04   -1.72583e+06    3.48665e+05   -1.37717e+06   -1.37243e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12913e+02   -2.11577e+02   -3.44483e+01    4.20829e-06

           Step           Time
         565000     1130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42024e+03    1.83494e+04    1.25223e+04    1.06416e+03   -2.87435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60628e+03    1.04568e+05    2.79332e+05   -1.71289e+04   -2.15030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22613e+04   -1.73018e+06    3.49521e+05   -1.38066e+06   -1.37244e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13681e+02   -2.10507e+02   -1.11619e+01    4.08911e-06

           Step           Time
         570000     1140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83108e+03    1.81573e+04    1.24043e+04    1.16128e+03   -2.68090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45057e+03    1.04514e+05    2.78700e+05   -1.71302e+04   -2.14840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20825e+04   -1.72891e+06    3.49721e+05   -1.37918e+06   -1.37237e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13861e+02   -2.10539e+02   -7.78068e+01    4.20442e-06

           Step           Time
         575000     1150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46959e+03    1.84587e+04    1.25683e+04    1.08256e+03   -2.76642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64781e+03    1.04734e+05    2.81720e+05   -1.72123e+04   -2.15255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21653e+04   -1.72968e+06    3.49185e+05   -1.38050e+06   -1.37233e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13380e+02   -2.12558e+02    1.66994e+02    4.12503e-06

           Step           Time
         580000     1160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45268e+03    1.83892e+04    1.23756e+04    1.15958e+03   -2.69905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57285e+03    1.04433e+05    2.81666e+05   -1.71576e+04   -2.15207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21274e+04   -1.72975e+06    3.48481e+05   -1.38127e+06   -1.37229e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12748e+02   -2.11211e+02    8.15178e+01    3.94592e-06

           Step           Time
         585000     1170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94425e+03    1.85555e+04    1.22909e+04    1.17161e+03   -2.78146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51606e+03    1.04443e+05    2.79393e+05   -1.71634e+04   -2.14991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22648e+04   -1.72928e+06    3.48107e+05   -1.38117e+06   -1.37224e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12412e+02   -2.11354e+02   -8.02094e+01    4.09035e-06

           Step           Time
         590000     1180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83505e+03    1.84299e+04    1.22736e+04    1.05779e+03   -2.75166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47790e+03    1.04370e+05    2.77900e+05   -1.71414e+04   -2.14823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21470e+04   -1.72964e+06    3.49090e+05   -1.38055e+06   -1.37225e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13295e+02   -2.10814e+02   -9.89174e+01    4.07488e-06

           Step           Time
         595000     1190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80564e+03    1.84778e+04    1.24074e+04    1.05342e+03   -2.65966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45444e+03    1.05038e+05    2.79676e+05   -1.71385e+04   -2.14916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22873e+04   -1.72776e+06    3.48855e+05   -1.37891e+06   -1.37220e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13084e+02   -2.10742e+02    1.86397e+01    4.13248e-06

           Step           Time
         600000     1200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36091e+03    1.85019e+04    1.22276e+04    1.08773e+03   -2.77204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52825e+03    1.05053e+05    2.77681e+05   -1.71664e+04   -2.14792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20459e+04   -1.72938e+06    3.49632e+05   -1.37974e+06   -1.37226e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13781e+02   -2.11427e+02   -7.63145e+01    4.09207e-06

           Step           Time
         605000     1210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77634e+03    1.84623e+04    1.24005e+04    1.07984e+03   -2.75231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50019e+03    1.04026e+05    2.78007e+05   -1.71428e+04   -2.14596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21586e+04   -1.72745e+06    3.46886e+05   -1.38056e+06   -1.37216e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11317e+02   -2.10847e+02   -7.89085e+01    4.19901e-06

           Step           Time
         610000     1220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41646e+03    1.86995e+04    1.24512e+04    1.07378e+03   -2.79037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53048e+03    1.04377e+05    2.80710e+05   -1.71557e+04   -2.15143e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20319e+04   -1.73008e+06    3.49410e+05   -1.38067e+06   -1.37213e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13582e+02   -2.11164e+02    1.99554e+01    4.18008e-06

           Step           Time
         615000     1230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52894e+03    1.82025e+04    1.25205e+04    1.10950e+03   -2.66403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55142e+03    1.04841e+05    2.77883e+05   -1.71261e+04   -2.14603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23093e+04   -1.72687e+06    3.48743e+05   -1.37813e+06   -1.37213e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12984e+02   -2.10438e+02    2.85636e+00    4.27154e-06

           Step           Time
         620000     1240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53174e+03    1.83824e+04    1.24759e+04    1.11526e+03   -2.69950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53720e+03    1.04270e+05    2.80103e+05   -1.71518e+04   -2.15043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20566e+04   -1.72981e+06    3.49277e+05   -1.38053e+06   -1.37208e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13463e+02   -2.11069e+02    4.54221e+01    4.11163e-06

           Step           Time
         625000     1250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41571e+03    1.81897e+04    1.25712e+04    1.11521e+03   -2.73433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58928e+03    1.04640e+05    2.80471e+05   -1.72047e+04   -2.15133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21137e+04   -1.73016e+06    3.44965e+05   -1.38520e+06   -1.37202e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09593e+02   -2.12372e+02    9.51635e+00    4.19996e-06

           Step           Time
         630000     1260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78744e+03    1.87555e+04    1.21787e+04    1.07903e+03   -2.75115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52406e+03    1.04217e+05    2.80602e+05   -1.72009e+04   -2.15132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21373e+04   -1.72999e+06    3.50632e+05   -1.37936e+06   -1.37203e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14679e+02   -2.12277e+02    7.10755e+01    4.12764e-06

           Step           Time
         635000     1270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73459e+03    1.83662e+04    1.24371e+04    1.05806e+03   -2.82295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51223e+03    1.04583e+05    2.81062e+05   -1.71697e+04   -2.15126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20487e+04   -1.72945e+06    3.48142e+05   -1.38131e+06   -1.37196e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12444e+02   -2.11510e+02    4.71775e+01    4.05126e-06

           Step           Time
         640000     1280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35486e+03    1.85523e+04    1.25759e+04    1.12447e+03   -2.82833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64405e+03    1.04858e+05    2.81824e+05   -1.72105e+04   -2.15239e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22017e+04   -1.72929e+06    3.47719e+05   -1.38157e+06   -1.37196e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12064e+02   -2.12515e+02    1.65989e+02    4.32373e-06

           Step           Time
         645000     1290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39742e+03    1.83615e+04    1.25969e+04    1.14118e+03   -2.86923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59204e+03    1.04683e+05    2.78263e+05   -1.71292e+04   -2.14745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22739e+04   -1.72814e+06    3.49238e+05   -1.37890e+06   -1.37196e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13427e+02   -2.10514e+02   -1.81718e+01    4.04276e-06

           Step           Time
         650000     1300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61908e+03    1.86224e+04    1.25738e+04    1.12610e+03   -2.63864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44893e+03    1.04439e+05    2.77645e+05   -1.72071e+04   -2.14855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18722e+04   -1.73005e+06    3.49380e+05   -1.38067e+06   -1.37190e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13555e+02   -2.12431e+02   -8.10750e+01    4.16803e-06

           Step           Time
         655000     1310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52485e+03    1.83744e+04    1.24857e+04    1.18810e+03   -2.69739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56324e+03    1.04762e+05    2.78745e+05   -1.71454e+04   -2.14868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21302e+04   -1.72875e+06    3.49311e+05   -1.37944e+06   -1.37186e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13493e+02   -2.10910e+02   -8.66821e-01    4.19887e-06

           Step           Time
         660000     1320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59941e+03    1.85480e+04    1.26164e+04    1.08408e+03   -2.73238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53441e+03    1.04592e+05    2.79110e+05   -1.71545e+04   -2.14887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20987e+04   -1.72857e+06    3.48653e+05   -1.37992e+06   -1.37180e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12903e+02   -2.11135e+02    2.18851e+01    4.06971e-06

           Step           Time
         665000     1330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50314e+03    1.83767e+04    1.24338e+04    1.05764e+03   -2.84781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66817e+03    1.04955e+05    2.76066e+05   -1.71870e+04   -2.14506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19641e+04   -1.72807e+06    3.48388e+05   -1.37968e+06   -1.37179e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12665e+02   -2.11934e+02   -6.69709e+01    4.21062e-06

           Step           Time
         670000     1340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62604e+03    1.84250e+04    1.26347e+04    1.20084e+03   -2.93613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55434e+03    1.04832e+05    2.80691e+05   -1.71374e+04   -2.14891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21554e+04   -1.72687e+06    3.49521e+05   -1.37735e+06   -1.37168e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13681e+02   -2.10716e+02    6.87063e+01    4.13520e-06

           Step           Time
         675000     1350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71559e+03    1.85310e+04    1.27791e+04    1.20382e+03   -2.85523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62942e+03    1.04435e+05    2.79476e+05   -1.71913e+04   -2.14750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22564e+04   -1.72652e+06    3.48970e+05   -1.37755e+06   -1.37164e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13187e+02   -2.12041e+02    6.32879e+01    4.18221e-06

           Step           Time
         680000     1360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61829e+03    1.87170e+04    1.23909e+04    1.08265e+03   -2.91734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46874e+03    1.04642e+05    2.79849e+05   -1.72014e+04   -2.14723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21158e+04   -1.72646e+06    3.49236e+05   -1.37723e+06   -1.37160e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13426e+02   -2.12291e+02    1.09683e+02    4.15810e-06

           Step           Time
         685000     1370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62581e+03    1.86892e+04    1.25562e+04    1.03756e+03   -2.87682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55187e+03    1.04716e+05    2.79705e+05   -1.71767e+04   -2.14730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20300e+04   -1.72644e+06    3.49590e+05   -1.37685e+06   -1.37162e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13743e+02   -2.11681e+02    9.83741e+01    4.11219e-06

           Step           Time
         690000     1380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45468e+03    1.82828e+04    1.24257e+04    1.16013e+03   -2.81427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58726e+03    1.04931e+05    2.79602e+05   -1.72439e+04   -2.15158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21781e+04   -1.73101e+06    3.49046e+05   -1.38197e+06   -1.37156e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13255e+02   -2.13338e+02    7.91448e+01    4.15369e-06

           Step           Time
         695000     1390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67047e+03    1.84927e+04    1.26353e+04    1.11772e+03   -2.91031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44916e+03    1.04774e+05    2.77983e+05   -1.71721e+04   -2.14765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20330e+04   -1.72858e+06    3.50183e+05   -1.37839e+06   -1.37154e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14276e+02   -2.11567e+02   -3.97802e+01    4.26307e-06

           Step           Time
         700000     1400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64685e+03    1.86093e+04    1.23761e+04    1.07342e+03   -2.85723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57673e+03    1.04154e+05    2.81627e+05   -1.71302e+04   -2.15127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20378e+04   -1.72916e+06    3.50105e+05   -1.37905e+06   -1.37148e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14205e+02   -2.10538e+02    7.09554e+01    4.30592e-06

           Step           Time
         705000     1410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60581e+03    1.84363e+04    1.25439e+04    1.04756e+03   -2.88879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50056e+03    1.04496e+05    2.79590e+05   -1.70859e+04   -2.15043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21079e+04   -1.73007e+06    3.49056e+05   -1.38102e+06   -1.37145e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13264e+02   -2.09451e+02   -8.60371e+01    4.23490e-06

           Step           Time
         710000     1420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65983e+03    1.86789e+04    1.23805e+04    1.03339e+03   -2.84727e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50084e+03    1.04760e+05    2.77883e+05   -1.71293e+04   -2.14883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20165e+04   -1.72989e+06    3.49042e+05   -1.38085e+06   -1.37140e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13252e+02   -2.10517e+02   -2.04713e+01    4.19601e-06

           Step           Time
         715000     1430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92183e+03    1.84676e+04    1.26819e+04    1.09252e+03   -2.90232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45422e+03    1.04374e+05    2.79868e+05   -1.71107e+04   -2.14869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21976e+04   -1.72765e+06    3.49840e+05   -1.37781e+06   -1.37139e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13968e+02   -2.10060e+02   -1.72368e+01    4.12855e-06

           Step           Time
         720000     1440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41757e+03    1.83132e+04    1.23893e+04    1.19530e+03   -2.90735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60370e+03    1.04473e+05    2.77970e+05   -1.71565e+04   -2.14958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22248e+04   -1.73105e+06    3.49372e+05   -1.38168e+06   -1.37135e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13548e+02   -2.11184e+02   -6.44620e+01    4.04549e-06

           Step           Time
         725000     1450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39715e+03    1.83068e+04    1.25466e+04    1.02735e+03   -2.86518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52714e+03    1.04444e+05    2.79718e+05   -1.71745e+04   -2.15152e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22398e+04   -1.73135e+06    3.46552e+05   -1.38480e+06   -1.37133e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11017e+02   -2.11628e+02   -2.52675e+01    4.21179e-06

           Step           Time
         730000     1460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90420e+03    1.82802e+04    1.24958e+04    1.06846e+03   -2.67969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42575e+03    1.04819e+05    2.78810e+05   -1.71331e+04   -2.14905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21585e+04   -1.72890e+06    3.50408e+05   -1.37849e+06   -1.37128e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14478e+02   -2.10610e+02   -9.53732e+01    4.20336e-06

           Step           Time
         735000     1470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69479e+03    1.82611e+04    1.25274e+04    1.11738e+03   -2.78664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55552e+03    1.04586e+05    2.78595e+05   -1.71376e+04   -2.14814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20938e+04   -1.72863e+06    3.49209e+05   -1.37942e+06   -1.37123e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13401e+02   -2.10719e+02   -1.01137e+02    4.10137e-06

           Step           Time
         740000     1480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51890e+03    1.79559e+04    1.26987e+04    1.16910e+03   -2.77597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43732e+03    1.05374e+05    2.78355e+05   -1.71291e+04   -2.14779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22673e+04   -1.72792e+06    3.49958e+05   -1.37796e+06   -1.37121e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14074e+02   -2.10510e+02   -8.30993e+01    4.15465e-06

Writing checkpoint, step 740800 at Thu Dec  7 05:12:56 2023


           Step           Time
         745000     1490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50574e+03    1.85284e+04    1.25681e+04    1.05043e+03   -2.69464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57402e+03    1.04366e+05    2.77070e+05   -1.71908e+04   -2.14539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21093e+04   -1.72751e+06    3.48242e+05   -1.37926e+06   -1.37112e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12534e+02   -2.12029e+02   -2.62049e+01    4.08090e-06

           Step           Time
         750000     1500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65963e+03    1.85490e+04    1.25850e+04    1.04062e+03   -2.85691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51862e+03    1.04415e+05    2.80262e+05   -1.71150e+04   -2.14983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20993e+04   -1.72867e+06    3.48975e+05   -1.37969e+06   -1.37107e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13191e+02   -2.10164e+02    2.29070e+01    4.20436e-06

           Step           Time
         755000     1510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70248e+03    1.82336e+04    1.25657e+04    1.01660e+03   -2.85338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42760e+03    1.04441e+05    2.81443e+05   -1.71697e+04   -2.15240e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22685e+04   -1.73032e+06    3.47594e+05   -1.38273e+06   -1.37104e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11952e+02   -2.11509e+02   -6.85952e+00    4.00328e-06

           Step           Time
         760000     1520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67076e+03    1.85930e+04    1.25505e+04    1.10088e+03   -2.78627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41892e+03    1.04587e+05    2.77857e+05   -1.71521e+04   -2.14922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20610e+04   -1.73032e+06    3.49104e+05   -1.38121e+06   -1.37100e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13308e+02   -2.11076e+02   -1.55456e+02    4.17223e-06

           Step           Time
         765000     1530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55853e+03    1.81327e+04    1.23421e+04    1.06105e+03   -2.85640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47749e+03    1.04272e+05    2.79060e+05   -1.71823e+04   -2.15078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20532e+04   -1.73186e+06    3.48442e+05   -1.38342e+06   -1.37098e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12713e+02   -2.11818e+02   -6.46654e+01    3.99932e-06

           Step           Time
         770000     1540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55896e+03    1.82158e+04    1.24632e+04    1.06903e+03   -2.69226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46446e+03    1.04811e+05    2.79698e+05   -1.71780e+04   -2.15125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21925e+04   -1.73065e+06    3.48638e+05   -1.38201e+06   -1.37092e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12889e+02   -2.11713e+02   -4.35706e+01    4.11544e-06

           Step           Time
         775000     1550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65001e+03    1.81293e+04    1.27297e+04    1.04897e+03   -2.89145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49348e+03    1.04539e+05    2.81646e+05   -1.71743e+04   -2.15199e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20019e+04   -1.72982e+06    3.48732e+05   -1.38109e+06   -1.37090e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12973e+02   -2.11623e+02    1.09564e+02    4.21443e-06

           Step           Time
         780000     1560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56453e+03    1.85064e+04    1.24524e+04    1.06106e+03   -2.79495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46053e+03    1.04433e+05    2.78646e+05   -1.71542e+04   -2.14871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21475e+04   -1.72939e+06    3.48836e+05   -1.38055e+06   -1.37085e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13067e+02   -2.11129e+02   -7.76164e+01    4.22351e-06

           Step           Time
         785000     1570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47989e+03    1.82252e+04    1.25962e+04    1.06172e+03   -2.81674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47004e+03    1.04507e+05    2.78909e+05   -1.71900e+04   -2.14965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22018e+04   -1.73021e+06    3.48928e+05   -1.38128e+06   -1.37083e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13150e+02   -2.12010e+02   -1.86477e+01    4.12946e-06

           Step           Time
         790000     1580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55014e+03    1.83476e+04    1.25251e+04    1.10866e+03   -2.83840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65264e+03    1.04564e+05    2.78273e+05   -1.71379e+04   -2.14686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22396e+04   -1.72758e+06    3.47866e+05   -1.37971e+06   -1.37078e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12196e+02   -2.10728e+02   -3.85263e+01    4.15884e-06

           Step           Time
         795000     1590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42040e+03    1.83990e+04    1.25892e+04    1.07164e+03   -2.74692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48436e+03    1.04695e+05    2.77903e+05   -1.71752e+04   -2.14891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20330e+04   -1.73023e+06    3.47950e+05   -1.38228e+06   -1.37075e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12272e+02   -2.11643e+02   -8.82493e+01    4.21634e-06

           Step           Time
         800000     1600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63656e+03    1.84687e+04    1.24191e+04    1.04685e+03   -2.87345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54811e+03    1.04525e+05    2.79638e+05   -1.71748e+04   -2.15010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21319e+04   -1.72974e+06    3.47428e+05   -1.38231e+06   -1.37070e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11803e+02   -2.11634e+02   -7.06519e+00    4.11221e-06

           Step           Time
         805000     1610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54758e+03    1.82351e+04    1.25039e+04    1.08739e+03   -2.82886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55024e+03    1.04592e+05    2.78963e+05   -1.71420e+04   -2.14909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21724e+04   -1.72941e+06    3.49902e+05   -1.37951e+06   -1.37073e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14024e+02   -2.10829e+02    1.38718e+01    4.20116e-06

           Step           Time
         810000     1620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60296e+03    1.85884e+04    1.24363e+04    1.21308e+03   -2.87039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66875e+03    1.04474e+05    2.77719e+05   -1.71639e+04   -2.14497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22411e+04   -1.72606e+06    3.48608e+05   -1.37745e+06   -1.37069e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12862e+02   -2.11367e+02    5.29027e+01    4.04537e-06

           Step           Time
         815000     1630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49256e+03    1.86845e+04    1.22635e+04    9.88679e+02   -2.71100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54557e+03    1.04414e+05    2.79673e+05   -1.71672e+04   -2.15051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22536e+04   -1.73007e+06    3.51025e+05   -1.37905e+06   -1.37068e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15031e+02   -2.11449e+02    2.99772e+01    4.20927e-06

           Step           Time
         820000     1640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51972e+03    1.82270e+04    1.25088e+04    1.07224e+03   -2.78275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54460e+03    1.04855e+05    2.80235e+05   -1.71452e+04   -2.15034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21062e+04   -1.72920e+06    3.48417e+05   -1.38079e+06   -1.37062e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12691e+02   -2.10907e+02    3.38910e+01    4.15695e-06

           Step           Time
         825000     1650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39946e+03    1.81739e+04    1.25876e+04    1.07884e+03   -2.80083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56079e+03    1.04702e+05    2.77724e+05   -1.71278e+04   -2.14718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22605e+04   -1.72863e+06    3.49477e+05   -1.37915e+06   -1.37061e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13642e+02   -2.10479e+02   -1.03870e+02    4.13101e-06

           Step           Time
         830000     1660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73223e+03    1.88734e+04    1.26564e+04    1.19420e+03   -2.80903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35099e+03    1.04132e+05    2.77770e+05   -1.71641e+04   -2.14738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22137e+04   -1.72843e+06    3.48852e+05   -1.37957e+06   -1.37051e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13082e+02   -2.11371e+02   -7.47563e+01    3.98155e-06

           Step           Time
         835000     1670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58760e+03    1.82581e+04    1.26526e+04    1.18734e+03   -2.87766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62791e+03    1.04895e+05    2.79239e+05   -1.71249e+04   -2.14877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20733e+04   -1.72826e+06    3.47764e+05   -1.38049e+06   -1.37047e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12104e+02   -2.10408e+02    1.84453e+01    4.13738e-06

           Step           Time
         840000     1680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39380e+03    1.80268e+04    1.26219e+04    1.12109e+03   -2.86232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55608e+03    1.04524e+05    2.80196e+05   -1.71492e+04   -2.14994e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22590e+04   -1.72925e+06    3.47086e+05   -1.38217e+06   -1.37045e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11496e+02   -2.11005e+02    5.95967e+00    4.05812e-06

           Step           Time
         845000     1690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70323e+03    1.80237e+04    1.24889e+04    1.04895e+03   -2.96052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54313e+03    1.04899e+05    2.76914e+05   -1.71512e+04   -2.14912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21026e+04   -1.73151e+06    3.46755e+05   -1.38475e+06   -1.37042e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11199e+02   -2.11055e+02   -1.68313e+02    4.14402e-06

           Step           Time
         850000     1700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38555e+03    1.86278e+04    1.23541e+04    1.08852e+03   -2.85400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62682e+03    1.04093e+05    2.80542e+05   -1.71724e+04   -2.14926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21306e+04   -1.72844e+06    3.48480e+05   -1.37996e+06   -1.37037e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12747e+02   -2.11575e+02    1.12587e+02    4.10615e-06

           Step           Time
         855000     1710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60484e+03    1.88675e+04    1.25037e+04    1.15682e+03   -2.86055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49619e+03    1.04597e+05    2.80161e+05   -1.71215e+04   -2.14949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22422e+04   -1.72784e+06    3.47949e+05   -1.37989e+06   -1.37028e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12271e+02   -2.10324e+02    2.93778e+01    4.16757e-06

           Step           Time
         860000     1720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52398e+03    1.84262e+04    1.24305e+04    1.03046e+03   -2.78780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51477e+03    1.04633e+05    2.80001e+05   -1.71751e+04   -2.15067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21309e+04   -1.72994e+06    3.49079e+05   -1.38086e+06   -1.37025e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13285e+02   -2.11643e+02    4.77578e+01    4.13049e-06

           Step           Time
         865000     1730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40337e+03    1.82019e+04    1.26547e+04    1.12031e+03   -2.87943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63661e+03    1.04369e+05    2.80212e+05   -1.71726e+04   -2.15094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21752e+04   -1.73022e+06    3.48048e+05   -1.38217e+06   -1.37025e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12360e+02   -2.11579e+02    6.80344e+01    4.09708e-06

           Step           Time
         870000     1740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60570e+03    1.83579e+04    1.24950e+04    1.09042e+03   -2.83140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42065e+03    1.04128e+05    2.81692e+05   -1.71640e+04   -2.15264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22501e+04   -1.73060e+06    3.47438e+05   -1.38316e+06   -1.37019e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11812e+02   -2.11368e+02    4.70734e+01    4.08145e-06

           Step           Time
         875000     1750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45504e+03    1.81006e+04    1.23312e+04    1.03101e+03   -2.75485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42590e+03    1.04396e+05    2.80054e+05   -1.71404e+04   -2.15150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20378e+04   -1.73156e+06    3.48593e+05   -1.38297e+06   -1.37019e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12849e+02   -2.10790e+02   -2.39362e+01    4.20493e-06

           Step           Time
         880000     1760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64346e+03    1.87506e+04    1.25728e+04    1.05862e+03   -2.82156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61303e+03    1.04556e+05    2.77530e+05   -1.71190e+04   -2.14182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20909e+04   -1.72295e+06    3.50352e+05   -1.37260e+06   -1.37008e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14427e+02   -2.10263e+02    1.79762e+00    4.17903e-06

           Step           Time
         885000     1770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53209e+03    1.86226e+04    1.24894e+04    1.07269e+03   -2.81854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55942e+03    1.04546e+05    2.77916e+05   -1.71421e+04   -2.14718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22180e+04   -1.72818e+06    3.47900e+05   -1.38028e+06   -1.37007e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12227e+02   -2.10831e+02   -3.35233e+01    4.06706e-06

           Step           Time
         890000     1780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01700e+03    1.82067e+04    1.24309e+04    1.07677e+03   -2.87098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53736e+03    1.04305e+05    2.77799e+05   -1.71502e+04   -2.14712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21602e+04   -1.72860e+06    3.48133e+05   -1.38047e+06   -1.37000e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12436e+02   -2.11030e+02   -7.15799e+01    3.99205e-06

           Step           Time
         895000     1790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45389e+03    1.81882e+04    1.23623e+04    1.10868e+03   -2.77588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58643e+03    1.04736e+05    2.79277e+05   -1.71677e+04   -2.15079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22266e+04   -1.73079e+06    3.47075e+05   -1.38371e+06   -1.37002e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11486e+02   -2.11461e+02    2.22813e+01    4.04493e-06

           Step           Time
         900000     1800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77884e+03    1.83600e+04    1.26405e+04    1.18277e+03   -2.84689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52776e+03    1.04553e+05    2.78276e+05   -1.71862e+04   -2.14781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20539e+04   -1.72847e+06    3.51075e+05   -1.37739e+06   -1.37001e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15076e+02   -2.11915e+02   -3.31255e+00    4.05099e-06

           Step           Time
         905000     1810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64906e+03    1.79070e+04    1.25008e+04    1.09015e+03   -2.79996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48658e+03    1.04547e+05    2.79472e+05   -1.71881e+04   -2.15406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20840e+04   -1.73431e+06    3.48658e+05   -1.38565e+06   -1.36996e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12907e+02   -2.11961e+02   -4.47142e+01    4.20145e-06

           Step           Time
         910000     1820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59999e+03    1.81095e+04    1.25160e+04    1.20464e+03   -2.69298e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52935e+03    1.04354e+05    2.79635e+05   -1.71722e+04   -2.14959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20557e+04   -1.72945e+06    3.47200e+05   -1.38225e+06   -1.36986e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11599e+02   -2.11570e+02    4.56123e+00    3.98566e-06

           Step           Time
         915000     1830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41602e+03    1.82349e+04    1.22986e+04    1.09883e+03   -2.61962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56178e+03    1.04478e+05    2.78769e+05   -1.71647e+04   -2.14935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20807e+04   -1.73020e+06    3.48234e+05   -1.38196e+06   -1.36983e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12527e+02   -2.11386e+02   -3.76317e+01    4.03354e-06

           Step           Time
         920000     1840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40455e+03    1.88837e+04    1.25665e+04    1.11751e+03   -2.88176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63641e+03    1.04129e+05    2.80002e+05   -1.71528e+04   -2.14915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21541e+04   -1.72829e+06    3.50536e+05   -1.37776e+06   -1.36983e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14593e+02   -2.11093e+02    7.61835e+01    4.12407e-06

           Step           Time
         925000     1850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51836e+03    1.85249e+04    1.25492e+04    1.10965e+03   -2.80498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54592e+03    1.04509e+05    2.79772e+05   -1.71751e+04   -2.15001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19593e+04   -1.72950e+06    3.49290e+05   -1.38021e+06   -1.36979e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13474e+02   -2.11641e+02    8.08899e+01    3.99118e-06

           Step           Time
         930000     1860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57304e+03    1.85664e+04    1.25736e+04    1.11450e+03   -2.81471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51793e+03    1.04556e+05    2.81074e+05   -1.71600e+04   -2.15042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21496e+04   -1.72827e+06    3.48552e+05   -1.37972e+06   -1.36976e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12812e+02   -2.11269e+02    1.02663e+02    4.16706e-06

           Step           Time
         935000     1870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46623e+03    1.81571e+04    1.25358e+04    1.14568e+03   -2.89574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42104e+03    1.04341e+05    2.79422e+05   -1.71566e+04   -2.15224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20966e+04   -1.73270e+06    3.47150e+05   -1.38555e+06   -1.36971e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11553e+02   -2.11186e+02   -7.55437e+01    4.21479e-06

           Step           Time
         940000     1880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49154e+03    1.85414e+04    1.25805e+04    1.15343e+03   -2.86177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49277e+03    1.04246e+05    2.80910e+05   -1.71330e+04   -2.14840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22677e+04   -1.72671e+06    3.48760e+05   -1.37795e+06   -1.36970e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12998e+02   -2.10607e+02    6.93291e+01    4.23877e-06

           Step           Time
         945000     1890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48420e+03    1.80699e+04    1.25725e+04    1.13402e+03   -2.87628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50970e+03    1.04564e+05    2.79276e+05   -1.71781e+04   -2.15019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20889e+04   -1.73054e+06    3.47719e+05   -1.38283e+06   -1.36967e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12064e+02   -2.11717e+02    2.41982e+01    4.08392e-06

           Step           Time
         950000     1900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61258e+03    1.83775e+04    1.24492e+04    9.98574e+02   -2.88461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41401e+03    1.04178e+05    2.78352e+05   -1.71825e+04   -2.15004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22083e+04   -1.73152e+06    3.49767e+05   -1.38176e+06   -1.36964e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13902e+02   -2.11824e+02   -7.54877e+01    4.22844e-06

           Step           Time
         955000     1910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66555e+03    1.82233e+04    1.24818e+04    1.11329e+03   -2.83941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41493e+03    1.04298e+05    2.79944e+05   -1.71723e+04   -2.14792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23116e+04   -1.72748e+06    3.50811e+05   -1.37667e+06   -1.36960e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14839e+02   -2.11572e+02    1.50207e+01    4.06715e-06

           Step           Time
         960000     1920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36061e+03    1.81383e+04    1.25361e+04    1.07640e+03   -2.89957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66889e+03    1.04835e+05    2.77143e+05   -1.71320e+04   -2.14700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20831e+04   -1.72919e+06    3.48652e+05   -1.38053e+06   -1.36954e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12901e+02   -2.10582e+02   -5.54490e+01    4.22200e-06

           Step           Time
         965000     1930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42635e+03    1.87018e+04    1.24864e+04    1.08962e+03   -2.81817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65531e+03    1.04819e+05    2.78510e+05   -1.71556e+04   -2.14750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20750e+04   -1.72771e+06    3.49937e+05   -1.37778e+06   -1.36952e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14055e+02   -2.11162e+02    6.42662e+01    4.23361e-06

           Step           Time
         970000     1940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57472e+03    1.83746e+04    1.25563e+04    1.06791e+03   -2.79674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41173e+03    1.04270e+05    2.79021e+05   -1.71889e+04   -2.14926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19918e+04   -1.72998e+06    3.48614e+05   -1.38136e+06   -1.36945e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12867e+02   -2.11982e+02    1.33028e+01    4.22132e-06

           Step           Time
         975000     1950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59610e+03    1.83449e+04    1.23367e+04    1.16038e+03   -2.88819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36959e+03    1.04898e+05    2.77624e+05   -1.71554e+04   -2.14810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22586e+04   -1.72956e+06    3.49281e+05   -1.38028e+06   -1.36944e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13466e+02   -2.11157e+02   -6.13998e+01    4.04215e-06

           Step           Time
         980000     1960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67258e+03    1.84273e+04    1.26413e+04    1.05589e+03   -2.92378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55405e+03    1.04360e+05    2.78390e+05   -1.71509e+04   -2.14775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22643e+04   -1.72846e+06    3.48073e+05   -1.38039e+06   -1.36940e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12382e+02   -2.11048e+02   -1.23912e+01    4.20351e-06

           Step           Time
         985000     1970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56401e+03    1.82992e+04    1.25203e+04    1.14148e+03   -2.78369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42884e+03    1.04070e+05    2.78549e+05   -1.71645e+04   -2.14731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23206e+04   -1.72837e+06    3.48373e+05   -1.37999e+06   -1.36940e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12652e+02   -2.11381e+02   -6.53858e+01    4.17716e-06

           Step           Time
         990000     1980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44091e+03    1.82867e+04    1.25429e+04    1.09965e+03   -2.82522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47033e+03    1.03991e+05    2.80310e+05   -1.71840e+04   -2.15101e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22691e+04   -1.73061e+06    3.50054e+05   -1.38056e+06   -1.36939e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14160e+02   -2.11860e+02    3.60732e+01    4.26389e-06

           Step           Time
         995000     1990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46310e+03    1.80869e+04    1.25167e+04    1.04972e+03   -2.90981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48358e+03    1.04934e+05    2.79121e+05   -1.71574e+04   -2.15216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21231e+04   -1.73245e+06    3.48426e+05   -1.38403e+06   -1.36934e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12699e+02   -2.11207e+02   -9.42495e+01    3.96718e-06

           Step           Time
        1000000     2000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53291e+03    1.87146e+04    1.24430e+04    1.01386e+03   -2.77339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56612e+03    1.04424e+05    2.81682e+05   -1.71675e+04   -2.15057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20957e+04   -1.72804e+06    3.49325e+05   -1.37872e+06   -1.36931e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13506e+02   -2.11455e+02    8.63288e+01    4.19292e-06

           Step           Time
        1005000     2010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49500e+03    1.85198e+04    1.27383e+04    1.07915e+03   -2.81423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49268e+03    1.04669e+05    2.78566e+05   -1.71877e+04   -2.14753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21687e+04   -1.72780e+06    3.50545e+05   -1.37726e+06   -1.36926e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14600e+02   -2.11951e+02   -1.66151e+01    4.15039e-06

           Step           Time
        1010000     2020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67092e+03    1.83807e+04    1.23358e+04    1.04662e+03   -2.91871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31710e+03    1.04730e+05    2.82278e+05   -1.71898e+04   -2.15132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20988e+04   -1.72857e+06    3.47965e+05   -1.38060e+06   -1.36920e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12285e+02   -2.12005e+02    6.57890e+01    4.16371e-06

           Step           Time
        1015000     2030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49023e+03    1.81757e+04    1.25247e+04    1.09696e+03   -2.81826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61954e+03    1.04450e+05    2.79867e+05   -1.71340e+04   -2.15012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21959e+04   -1.72965e+06    3.48162e+05   -1.38149e+06   -1.36921e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12462e+02   -2.10631e+02   -6.96907e+00    4.20826e-06

           Step           Time
        1020000     2040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55466e+03    1.81305e+04    1.26359e+04    1.05670e+03   -2.95965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53398e+03    1.04780e+05    2.76755e+05   -1.71643e+04   -2.14483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22119e+04   -1.72730e+06    3.48652e+05   -1.37864e+06   -1.36919e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12901e+02   -2.11376e+02   -7.10341e+01    4.13403e-06

           Step           Time
        1025000     2050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56137e+03    1.84532e+04    1.27218e+04    1.06355e+03   -2.77481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49395e+03    1.04607e+05    2.78568e+05   -1.71869e+04   -2.15023e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22682e+04   -1.73046e+06    3.50548e+05   -1.37991e+06   -1.36913e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14603e+02   -2.11934e+02    1.71817e+01    4.01060e-06

           Step           Time
        1030000     2060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51883e+03    1.83992e+04    1.27733e+04    1.12267e+03   -2.85730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40201e+03    1.04248e+05    2.79774e+05   -1.71848e+04   -2.15054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22440e+04   -1.73010e+06    3.48715e+05   -1.38139e+06   -1.36911e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12958e+02   -2.11881e+02   -3.25012e+01    4.03587e-06

           Step           Time
        1035000     2070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56770e+03    1.83600e+04    1.26190e+04    1.05997e+03   -2.81764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42219e+03    1.04484e+05    2.80947e+05   -1.71306e+04   -2.15005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22996e+04   -1.72824e+06    3.49896e+05   -1.37834e+06   -1.36908e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14018e+02   -2.10549e+02    3.93806e+01    4.07956e-06

           Step           Time
        1040000     2080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51409e+03    1.87064e+04    1.25030e+04    1.04851e+03   -2.81434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50896e+03    1.04154e+05    2.77359e+05   -1.71462e+04   -2.14548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22955e+04   -1.72735e+06    3.48458e+05   -1.37889e+06   -1.36903e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12728e+02   -2.10930e+02   -1.46065e+01    4.17565e-06

           Step           Time
        1045000     2090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50161e+03    1.78896e+04    1.24070e+04    1.03334e+03   -2.92490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50393e+03    1.04626e+05    2.78098e+05   -1.71343e+04   -2.14850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20728e+04   -1.73042e+06    3.47666e+05   -1.38276e+06   -1.36901e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12017e+02   -2.10638e+02   -6.82776e+01    4.22851e-06

           Step           Time
        1050000     2100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52968e+03    1.80405e+04    1.24943e+04    1.04650e+03   -2.83985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47368e+03    1.04270e+05    2.79797e+05   -1.72009e+04   -2.15198e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21026e+04   -1.73227e+06    3.48332e+05   -1.38394e+06   -1.36896e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12615e+02   -2.12278e+02    2.23596e+01    3.97818e-06

           Step           Time
        1055000     2110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58195e+03    1.80056e+04    1.24399e+04    1.06439e+03   -2.97822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45985e+03    1.04218e+05    2.80714e+05   -1.71530e+04   -2.15064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21460e+04   -1.73015e+06    3.48777e+05   -1.38137e+06   -1.36891e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13014e+02   -2.11099e+02   -5.39446e+01    4.08221e-06

           Step           Time
        1060000     2120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73985e+03    1.83735e+04    1.24048e+04    1.09571e+03   -2.83373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61625e+03    1.03999e+05    2.78902e+05   -1.71728e+04   -2.14787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22498e+04   -1.72850e+06    3.47737e+05   -1.38076e+06   -1.36886e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12080e+02   -2.11585e+02    2.00619e+01    4.02671e-06

           Step           Time
        1065000     2130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48772e+03    1.81052e+04    1.23553e+04    1.04188e+03   -2.77958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50730e+03    1.04067e+05    2.78263e+05   -1.71408e+04   -2.14908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21607e+04   -1.73101e+06    3.48358e+05   -1.38265e+06   -1.36885e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12637e+02   -2.10799e+02   -2.41681e+00    4.02291e-06

           Step           Time
        1070000     2140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41742e+03    1.84814e+04    1.26371e+04    1.13599e+03   -2.75370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49356e+03    1.04457e+05    2.74879e+05   -1.71225e+04   -2.14177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21284e+04   -1.72601e+06    3.48740e+05   -1.37727e+06   -1.36882e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12981e+02   -2.10350e+02   -1.22875e+02    4.27956e-06

           Step           Time
        1075000     2150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52336e+03    1.85639e+04    1.25657e+04    1.18271e+03   -2.80514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52043e+03    1.04901e+05    2.80120e+05   -1.71707e+04   -2.15037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21849e+04   -1.72878e+06    3.49062e+05   -1.37972e+06   -1.36873e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13270e+02   -2.11533e+02    7.26831e+00    3.95408e-06

           Step           Time
        1080000     2160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38789e+03    1.78410e+04    1.24079e+04    1.12686e+03   -2.81789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54852e+03    1.03992e+05    2.82839e+05   -1.71619e+04   -2.15337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22335e+04   -1.73097e+06    3.48401e+05   -1.38257e+06   -1.36875e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12676e+02   -2.11318e+02    1.05758e+02    4.13566e-06

           Step           Time
        1085000     2170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58171e+03    1.80970e+04    1.23509e+04    1.03718e+03   -2.89105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54422e+03    1.04527e+05    2.78809e+05   -1.71338e+04   -2.14923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20242e+04   -1.73029e+06    3.48918e+05   -1.38137e+06   -1.36870e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13141e+02   -2.10627e+02   -1.47986e+01    4.08569e-06

           Step           Time
        1090000     2180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66952e+03    1.82987e+04    1.26264e+04    1.18413e+03   -2.86184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55961e+03    1.03769e+05    2.79527e+05   -1.71631e+04   -2.14944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22137e+04   -1.72962e+06    3.48875e+05   -1.38075e+06   -1.36867e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13101e+02   -2.11348e+02   -5.40003e+00    4.19600e-06

           Step           Time
        1095000     2190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51675e+03    1.84680e+04    1.26508e+04    1.04589e+03   -2.83539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53293e+03    1.04590e+05    2.77428e+05   -1.71597e+04   -2.14683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21671e+04   -1.72843e+06    3.48572e+05   -1.37986e+06   -1.36865e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12830e+02   -2.11262e+02   -7.69153e+01    4.11425e-06

           Step           Time
        1100000     2200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22956e+03    1.86810e+04    1.25241e+04    1.10950e+03   -2.83873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61357e+03    1.04282e+05    2.79578e+05   -1.71608e+04   -2.15105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20961e+04   -1.73094e+06    3.49600e+05   -1.38134e+06   -1.36863e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13753e+02   -2.11289e+02    4.57986e+01    4.18137e-06

           Step           Time
        1105000     2210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63143e+03    1.82854e+04    1.25397e+04    1.15128e+03   -2.85221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57445e+03    1.04677e+05    2.81810e+05   -1.71936e+04   -2.15153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20213e+04   -1.72889e+06    3.50746e+05   -1.37814e+06   -1.36855e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14781e+02   -2.12097e+02    1.01388e+02    4.09003e-06

           Step           Time
        1110000     2220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52033e+03    1.84526e+04    1.25168e+04    1.12013e+03   -2.84957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58808e+03    1.04236e+05    2.80159e+05   -1.71875e+04   -2.14768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22268e+04   -1.72690e+06    3.48842e+05   -1.37806e+06   -1.36856e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13072e+02   -2.11947e+02    1.19102e+02    4.26616e-06

           Step           Time
        1115000     2230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60325e+03    1.86420e+04    1.24001e+04    1.13550e+03   -2.73364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43221e+03    1.04033e+05    2.77908e+05   -1.71752e+04   -2.14538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21453e+04   -1.72699e+06    3.49791e+05   -1.37720e+06   -1.36854e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13924e+02   -2.11644e+02    2.11514e+01    4.07243e-06

           Step           Time
        1120000     2240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67681e+03    1.85890e+04    1.24021e+04    1.16718e+03   -2.83466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47123e+03    1.03954e+05    2.79232e+05   -1.71659e+04   -2.14805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21135e+04   -1.72845e+06    3.49093e+05   -1.37936e+06   -1.36852e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13297e+02   -2.11416e+02   -4.90917e+01    4.01848e-06

           Step           Time
        1125000     2250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36138e+03    1.86044e+04    1.24573e+04    1.14416e+03   -2.89803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45954e+03    1.03910e+05    2.80544e+05   -1.71165e+04   -2.14847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22309e+04   -1.72777e+06    3.49106e+05   -1.37867e+06   -1.36853e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13309e+02   -2.10201e+02    5.79816e+01    4.09511e-06

           Step           Time
        1130000     2260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68818e+03    1.85532e+04    1.24472e+04    1.11501e+03   -2.78887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52549e+03    1.04483e+05    2.78507e+05   -1.71526e+04   -2.14752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20061e+04   -1.72814e+06    3.48066e+05   -1.38007e+06   -1.36844e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12376e+02   -2.11089e+02    6.68607e-01    4.03723e-06

           Step           Time
        1135000     2270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59963e+03    1.81696e+04    1.28725e+04    1.15287e+03   -2.90563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46599e+03    1.04077e+05    2.76932e+05   -1.71355e+04   -2.14490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22273e+04   -1.72744e+06    3.49621e+05   -1.37782e+06   -1.36847e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13771e+02   -2.10669e+02   -6.98456e+01    4.04148e-06

           Step           Time
        1140000     2280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71110e+03    1.81930e+04    1.24791e+04    1.08655e+03   -2.84030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46340e+03    1.04266e+05    2.80051e+05   -1.71799e+04   -2.15280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20993e+04   -1.73247e+06    3.49560e+05   -1.38291e+06   -1.36841e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13717e+02   -2.11760e+02   -2.66509e+01    4.05419e-06

           Step           Time
        1145000     2290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28196e+03    1.85745e+04    1.24919e+04    1.16299e+03   -2.86159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75521e+03    1.04255e+05    2.78005e+05   -1.71458e+04   -2.14541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19976e+04   -1.72690e+06    3.48924e+05   -1.37797e+06   -1.36836e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13145e+02   -2.10922e+02   -4.00275e+00    4.20787e-06

           Step           Time
        1150000     2300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45182e+03    1.81526e+04    1.24818e+04    1.10860e+03   -2.81916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43988e+03    1.04683e+05    2.78497e+05   -1.71440e+04   -2.14724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21006e+04   -1.72829e+06    3.48738e+05   -1.37955e+06   -1.36837e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12978e+02   -2.10878e+02   -1.93602e+01    4.06256e-06

           Step           Time
        1155000     2310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59257e+03    1.84578e+04    1.26381e+04    1.12742e+03   -2.84664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58040e+03    1.04286e+05    2.79672e+05   -1.71836e+04   -2.15037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21732e+04   -1.72988e+06    3.49633e+05   -1.38024e+06   -1.36832e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13782e+02   -2.11850e+02    4.77209e+01    3.99169e-06

           Step           Time
        1160000     2320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82723e+03    1.79458e+04    1.23684e+04    1.02426e+03   -2.69882e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50961e+03    1.04849e+05    2.79958e+05   -1.71590e+04   -2.14952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22043e+04   -1.72869e+06    3.49355e+05   -1.37933e+06   -1.36827e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13533e+02   -2.11245e+02   -1.01137e+01    4.17579e-06

           Step           Time
        1165000     2330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40701e+03    1.83707e+04    1.25231e+04    1.10550e+03   -2.77763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62623e+03    1.04637e+05    2.78244e+05   -1.71531e+04   -2.14785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20583e+04   -1.72881e+06    3.48760e+05   -1.38005e+06   -1.36820e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12999e+02   -2.11100e+02   -2.45772e+00    4.22126e-06

           Step           Time
        1170000     2340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39956e+03    1.81673e+04    1.27304e+04    1.11713e+03   -2.90983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41949e+03    1.04825e+05    2.77521e+05   -1.71898e+04   -2.14846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21777e+04   -1.73020e+06    3.48664e+05   -1.38153e+06   -1.36821e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12912e+02   -2.12005e+02   -7.07051e+01    4.01166e-06

           Step           Time
        1175000     2350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42610e+03    1.82860e+04    1.24898e+04    1.07261e+03   -2.84644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58051e+03    1.04504e+05    2.79239e+05   -1.71309e+04   -2.14937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20866e+04   -1.72966e+06    3.45273e+05   -1.38439e+06   -1.36813e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09869e+02   -2.10555e+02   -1.17926e+00    4.14594e-06

           Step           Time
        1180000     2360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46810e+03    1.85131e+04    1.25061e+04    1.12513e+03   -2.82568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57615e+03    1.04074e+05    2.77862e+05   -1.71699e+04   -2.14637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21818e+04   -1.72806e+06    3.48337e+05   -1.37972e+06   -1.36813e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12619e+02   -2.11514e+02   -2.92050e+01    4.24301e-06

           Step           Time
        1185000     2370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54965e+03    1.85545e+04    1.25362e+04    1.11110e+03   -2.88294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43628e+03    1.03800e+05    2.77900e+05   -1.71203e+04   -2.14760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21645e+04   -1.72955e+06    3.49177e+05   -1.38037e+06   -1.36811e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13373e+02   -2.10294e+02   -1.38989e+02    4.09234e-06

           Step           Time
        1190000     2380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32099e+03    1.79669e+04    1.24971e+04    1.07392e+03   -2.80175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58844e+03    1.04291e+05    2.78091e+05   -1.71850e+04   -2.14921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21292e+04   -1.73124e+06    3.49369e+05   -1.38187e+06   -1.36814e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13545e+02   -2.11886e+02    1.66689e+01    4.10328e-06

           Step           Time
        1195000     2390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67319e+03    1.86517e+04    1.24902e+04    1.13087e+03   -2.69368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49924e+03    1.03574e+05    2.80946e+05   -1.71660e+04   -2.14937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20537e+04   -1.72821e+06    3.49391e+05   -1.37882e+06   -1.36807e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13564e+02   -2.11418e+02    1.12172e+02    4.18270e-06

           Step           Time
        1200000     2400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57437e+03    1.81411e+04    1.24478e+04    1.11620e+03   -2.77513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40734e+03    1.04237e+05    2.75207e+05   -1.71383e+04   -2.14371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22309e+04   -1.72827e+06    3.48218e+05   -1.38005e+06   -1.36803e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12512e+02   -2.10738e+02   -1.64795e+02    4.11579e-06

           Step           Time
        1205000     2410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53936e+03    1.88054e+04    1.26826e+04    1.12020e+03   -2.79801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53203e+03    1.03690e+05    2.79082e+05   -1.71596e+04   -2.14790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21493e+04   -1.72826e+06    3.48515e+05   -1.37974e+06   -1.36798e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12779e+02   -2.11259e+02   -3.63529e+01    4.09679e-06

           Step           Time
        1210000     2420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48977e+03    1.83752e+04    1.25158e+04    1.13638e+03   -2.74499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49684e+03    1.04226e+05    2.76280e+05   -1.71439e+04   -2.14533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24013e+04   -1.72830e+06    3.48805e+05   -1.37950e+06   -1.36792e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13039e+02   -2.10873e+02   -1.28909e+02    4.23461e-06

           Step           Time
        1215000     2430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56876e+03    1.80395e+04    1.25052e+04    1.20787e+03   -2.85965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52733e+03    1.04397e+05    2.77327e+05   -1.71683e+04   -2.14404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22195e+04   -1.72628e+06    3.47277e+05   -1.37900e+06   -1.36790e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11668e+02   -2.11473e+02   -1.63156e+01    4.08948e-06

           Step           Time
        1220000     2440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41272e+03    1.84450e+04    1.23694e+04    1.14482e+03   -2.78806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47246e+03    1.04086e+05    2.79331e+05   -1.71752e+04   -2.15114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19763e+04   -1.73187e+06    3.48016e+05   -1.38385e+06   -1.36791e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12331e+02   -2.11644e+02   -1.26019e+01    4.06004e-06

           Step           Time
        1225000     2450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77190e+03    1.79214e+04    1.24118e+04    9.71855e+02   -2.88032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48406e+03    1.03857e+05    2.80861e+05   -1.71892e+04   -2.15162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20130e+04   -1.73140e+06    3.47880e+05   -1.38352e+06   -1.36786e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12209e+02   -2.11989e+02    4.55947e+01    4.13811e-06

           Step           Time
        1230000     2460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77405e+03    1.84926e+04    1.26583e+04    1.03908e+03   -2.77799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47596e+03    1.03729e+05    2.79096e+05   -1.71593e+04   -2.14892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20633e+04   -1.72952e+06    3.48988e+05   -1.38054e+06   -1.36783e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13203e+02   -2.11252e+02   -4.30404e+01    4.01522e-06

           Step           Time
        1235000     2470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56439e+03    1.84786e+04    1.25139e+04    1.11447e+03   -2.83586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44514e+03    1.04109e+05    2.81020e+05   -1.71087e+04   -2.15126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21185e+04   -1.72984e+06    3.50035e+05   -1.37980e+06   -1.36780e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14143e+02   -2.10011e+02   -2.42597e+01    4.29402e-06

           Step           Time
        1240000     2480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74229e+03    1.79490e+04    1.26223e+04    1.15445e+03   -2.75912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54997e+03    1.04435e+05    2.79638e+05   -1.72085e+04   -2.14937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22610e+04   -1.72898e+06    3.52267e+05   -1.37672e+06   -1.36775e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.16146e+02   -2.12466e+02    5.08361e+01    4.25395e-06

           Step           Time
        1245000     2490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48684e+03    1.80265e+04    1.26973e+04    1.15515e+03   -2.75404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60394e+03    1.04218e+05    2.79321e+05   -1.71279e+04   -2.14821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21706e+04   -1.72841e+06    3.48804e+05   -1.37961e+06   -1.36772e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13038e+02   -2.10483e+02    2.11601e-02    4.25930e-06

           Step           Time
        1250000     2500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63162e+03    1.83389e+04    1.25244e+04    1.04841e+03   -2.74062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48232e+03    1.04432e+05    2.80369e+05   -1.71391e+04   -2.15019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20429e+04   -1.72920e+06    3.46228e+05   -1.38297e+06   -1.36764e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10726e+02   -2.10758e+02   -1.93992e+01    3.98757e-06

           Step           Time
        1255000     2510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31542e+03    1.84787e+04    1.25373e+04    1.09830e+03   -2.74647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61711e+03    1.03964e+05    2.82500e+05   -1.71600e+04   -2.15316e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22407e+04   -1.73032e+06    3.48839e+05   -1.38148e+06   -1.36761e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13070e+02   -2.11269e+02    1.41133e+02    4.04217e-06

           Step           Time
        1260000     2520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66555e+03    1.84748e+04    1.25194e+04    1.01371e+03   -2.83464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53274e+03    1.03694e+05    2.78857e+05   -1.71600e+04   -2.14988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19175e+04   -1.73120e+06    3.47767e+05   -1.38343e+06   -1.36750e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12107e+02   -2.11271e+02   -7.22958e+01    4.12674e-06

           Step           Time
        1265000     2530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60877e+03    1.80744e+04    1.26129e+04    1.10689e+03   -2.87171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62414e+03    1.03512e+05    2.79104e+05   -1.71975e+04   -2.14922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21824e+04   -1.73047e+06    3.49336e+05   -1.38113e+06   -1.36749e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13515e+02   -2.12194e+02   -2.37571e+01    4.08899e-06

           Step           Time
        1270000     2540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51497e+03    1.86123e+04    1.23081e+04    1.07104e+03   -2.75676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48388e+03    1.03540e+05    2.80280e+05   -1.72109e+04   -2.15069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20935e+04   -1.73075e+06    3.48910e+05   -1.38184e+06   -1.36747e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13133e+02   -2.12524e+02    1.30708e+02    4.11828e-06

           Step           Time
        1275000     2550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68697e+03    1.83352e+04    1.24247e+04    1.12387e+03   -2.76696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44487e+03    1.03998e+05    2.79974e+05   -1.71994e+04   -2.15004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21790e+04   -1.72984e+06    3.50485e+05   -1.37936e+06   -1.36746e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14547e+02   -2.12241e+02    9.45689e-01    4.03840e-06

           Step           Time
        1280000     2560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63306e+03    1.85542e+04    1.23622e+04    1.14057e+03   -2.83488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47506e+03    1.03858e+05    2.79123e+05   -1.71413e+04   -2.14688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22530e+04   -1.72746e+06    3.49613e+05   -1.37784e+06   -1.36743e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13764e+02   -2.10810e+02    4.61898e+01    3.95093e-06

           Step           Time
        1285000     2570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44004e+03    1.85442e+04    1.26764e+04    1.15749e+03   -2.80887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53560e+03    1.03724e+05    2.77132e+05   -1.71686e+04   -2.14649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20592e+04   -1.72919e+06    3.48638e+05   -1.38056e+06   -1.36740e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12889e+02   -2.11483e+02   -5.12881e+01    4.11564e-06

           Step           Time
        1290000     2580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65709e+03    1.80299e+04    1.25102e+04    1.01482e+03   -2.86616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52389e+03    1.04337e+05    2.77896e+05   -1.71194e+04   -2.14600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19911e+04   -1.72803e+06    3.46998e+05   -1.38103e+06   -1.36735e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11417e+02   -2.10274e+02   -9.48901e+01    4.04204e-06

           Step           Time
        1295000     2590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62347e+03    1.84227e+04    1.25810e+04    1.08110e+03   -2.81916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60611e+03    1.03724e+05    2.81213e+05   -1.71745e+04   -2.14900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22934e+04   -1.72745e+06    3.50034e+05   -1.37742e+06   -1.36730e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14142e+02   -2.11627e+02    1.49504e+02    4.05692e-06

           Step           Time
        1300000     2600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40979e+03    1.83435e+04    1.24742e+04    1.07436e+03   -2.83778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48421e+03    1.04353e+05    2.79943e+05   -1.71404e+04   -2.15093e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20803e+04   -1.73075e+06    3.47762e+05   -1.38299e+06   -1.36729e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12103e+02   -2.10790e+02   -3.15127e+01    4.21573e-06

           Step           Time
        1305000     2610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28629e+03    1.83306e+04    1.24352e+04    1.08585e+03   -2.75644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52914e+03    1.04284e+05    2.77623e+05   -1.71782e+04   -2.14971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22439e+04   -1.73183e+06    3.47376e+05   -1.38445e+06   -1.36726e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11756e+02   -2.11718e+02   -8.82117e+01    3.96186e-06

           Step           Time
        1310000     2620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65734e+03    1.79300e+04    1.27477e+04    1.05447e+03   -2.85909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50739e+03    1.03804e+05    2.79522e+05   -1.72035e+04   -2.14957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20803e+04   -1.73033e+06    3.47531e+05   -1.38280e+06   -1.36728e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11895e+02   -2.12341e+02    1.09920e+01    3.82183e-06

           Step           Time
        1315000     2630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58313e+03    1.83237e+04    1.25294e+04    1.12264e+03   -2.79599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56845e+03    1.04335e+05    2.79473e+05   -1.71776e+04   -2.14918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21410e+04   -1.72908e+06    3.49707e+05   -1.37937e+06   -1.36723e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13849e+02   -2.11704e+02    6.51579e+01    3.96742e-06

           Step           Time
        1320000     2640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56867e+03    1.84005e+04    1.24755e+04    1.02196e+03   -2.77686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56225e+03    1.04495e+05    2.80069e+05   -1.71544e+04   -2.15005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21072e+04   -1.72928e+06    3.48628e+05   -1.38066e+06   -1.36715e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12880e+02   -2.11134e+02    1.69454e+01    4.08454e-06

           Step           Time
        1325000     2650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35723e+03    1.80590e+04    1.25729e+04    1.09150e+03   -2.85807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67016e+03    1.04246e+05    2.79928e+05   -1.71267e+04   -2.15011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21772e+04   -1.72999e+06    3.47332e+05   -1.38266e+06   -1.36716e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11717e+02   -2.10453e+02    1.59422e+01    4.09983e-06

           Step           Time
        1330000     2660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45229e+03    1.81537e+04    1.25558e+04    1.12732e+03   -2.82191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56064e+03    1.03782e+05    2.78093e+05   -1.71586e+04   -2.14631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19999e+04   -1.72857e+06    3.48815e+05   -1.37975e+06   -1.36716e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13048e+02   -2.11236e+02   -5.80837e+01    4.24207e-06

           Step           Time
        1335000     2670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52758e+03    1.83166e+04    1.25667e+04    1.15409e+03   -2.80177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49862e+03    1.03942e+05    2.81123e+05   -1.71862e+04   -2.15110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22195e+04   -1.72974e+06    3.49814e+05   -1.37993e+06   -1.36710e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13944e+02   -2.11916e+02    8.30566e+01    4.07534e-06

           Step           Time
        1340000     2680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64795e+03    1.84677e+04    1.24047e+04    9.89911e+02   -2.85950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45598e+03    1.03824e+05    2.82568e+05   -1.71772e+04   -2.15185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20053e+04   -1.72952e+06    3.48789e+05   -1.38073e+06   -1.36706e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13025e+02   -2.11694e+02    1.38096e+02    4.14154e-06

           Step           Time
        1345000     2690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71075e+03    1.84627e+04    1.25083e+04    1.10496e+03   -2.78560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48122e+03    1.03934e+05    2.80130e+05   -1.71696e+04   -2.14911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23469e+04   -1.72838e+06    3.48314e+05   -1.38007e+06   -1.36702e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12598e+02   -2.11507e+02    1.66900e+01    3.98573e-06

           Step           Time
        1350000     2700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61178e+03    1.79736e+04    1.25429e+04    1.03559e+03   -2.79769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63873e+03    1.04406e+05    2.80773e+05   -1.71935e+04   -2.15302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20257e+04   -1.73200e+06    3.48574e+05   -1.38343e+06   -1.36702e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12832e+02   -2.12095e+02    1.10063e+01    4.00270e-06

           Step           Time
        1355000     2710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61955e+03    1.86091e+04    1.23094e+04    1.06846e+03   -2.79896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46005e+03    1.04431e+05    2.76052e+05   -1.71376e+04   -2.14462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22465e+04   -1.72777e+06    3.51757e+05   -1.37601e+06   -1.36701e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15688e+02   -2.10721e+02   -1.33623e+02    4.13548e-06

           Step           Time
        1360000     2720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45534e+03    1.82461e+04    1.24435e+04    9.93773e+02   -2.86522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53586e+03    1.04113e+05    2.79873e+05   -1.71578e+04   -2.14859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21764e+04   -1.72877e+06    3.49391e+05   -1.37938e+06   -1.36695e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13565e+02   -2.11217e+02    1.00535e+02    4.09398e-06

           Step           Time
        1365000     2730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68326e+03    1.82935e+04    1.24636e+04    1.04673e+03   -2.82720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49852e+03    1.04023e+05    2.79066e+05   -1.72281e+04   -2.15017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20342e+04   -1.73111e+06    3.47770e+05   -1.38334e+06   -1.36688e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12110e+02   -2.12947e+02   -1.39568e+00    3.93544e-06

           Step           Time
        1370000     2740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63935e+03    1.83949e+04    1.24035e+04    1.13375e+03   -2.86007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52484e+03    1.04153e+05    2.79119e+05   -1.72018e+04   -2.15060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23184e+04   -1.73097e+06    3.48927e+05   -1.38205e+06   -1.36683e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13148e+02   -2.12301e+02   -3.97562e+01    4.02542e-06

           Step           Time
        1375000     2750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51600e+03    1.80609e+04    1.25697e+04    1.08295e+03   -2.86945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50703e+03    1.04723e+05    2.78980e+05   -1.71382e+04   -2.14939e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21709e+04   -1.72979e+06    3.49132e+05   -1.38066e+06   -1.36686e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13332e+02   -2.10736e+02   -6.80906e+01    4.28012e-06

           Step           Time
        1380000     2760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53488e+03    1.82103e+04    1.24366e+04    1.15159e+03   -2.88734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54862e+03    1.04181e+05    2.80989e+05   -1.71450e+04   -2.15190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24083e+04   -1.73047e+06    3.47973e+05   -1.38250e+06   -1.36675e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12292e+02   -2.10902e+02    2.11066e+01    4.03623e-06

           Step           Time
        1385000     2770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54780e+03    1.84012e+04    1.23732e+04    1.07650e+03   -2.77760e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58672e+03    1.04089e+05    2.77220e+05   -1.71687e+04   -2.14789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21619e+04   -1.73038e+06    3.47999e+05   -1.38238e+06   -1.36673e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12316e+02   -2.11484e+02   -7.74278e+01    4.03947e-06

           Step           Time
        1390000     2780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69459e+03    1.78462e+04    1.22957e+04    1.07639e+03   -2.71553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51213e+03    1.04405e+05    2.77813e+05   -1.72060e+04   -2.14908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21626e+04   -1.73120e+06    3.48280e+05   -1.38292e+06   -1.36671e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12568e+02   -2.12404e+02   -1.10598e+02    4.10912e-06

           Step           Time
        1395000     2790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20167e+03    1.79594e+04    1.24554e+04    1.14072e+03   -2.70357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66911e+03    1.04463e+05    2.81463e+05   -1.71560e+04   -2.15328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21445e+04   -1.73164e+06    3.48520e+05   -1.38312e+06   -1.36666e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12784e+02   -2.11171e+02    1.08684e+02    4.01197e-06

           Step           Time
        1400000     2800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44541e+03    1.75314e+04    1.25621e+04    1.06839e+03   -2.79177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62261e+03    1.05035e+05    2.80327e+05   -1.71729e+04   -2.15395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20568e+04   -1.73326e+06    3.47850e+05   -1.38541e+06   -1.36667e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12182e+02   -2.11587e+02   -1.28713e+01    3.94816e-06

           Step           Time
        1405000     2810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51911e+03    1.84929e+04    1.25578e+04    1.04943e+03   -2.72964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56118e+03    1.04478e+05    2.79306e+05   -1.71469e+04   -2.14710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21955e+04   -1.72681e+06    3.48398e+05   -1.37841e+06   -1.36658e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12674e+02   -2.10949e+02    1.90856e+01    4.10238e-06

           Step           Time
        1410000     2820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31220e+03    1.85166e+04    1.23912e+04    1.08695e+03   -2.73331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51369e+03    1.04116e+05    2.78579e+05   -1.71573e+04   -2.14928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22007e+04   -1.73046e+06    3.49253e+05   -1.38121e+06   -1.36658e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13441e+02   -2.11203e+02   -1.30130e+01    4.20282e-06

           Step           Time
        1415000     2830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76316e+03    1.84578e+04    1.26390e+04    1.09980e+03   -2.76353e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45000e+03    1.04325e+05    2.78570e+05   -1.71782e+04   -2.14770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22230e+04   -1.72811e+06    3.49543e+05   -1.37857e+06   -1.36651e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13701e+02   -2.11719e+02    1.40139e+01    4.22853e-06

           Step           Time
        1420000     2840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54704e+03    1.82419e+04    1.25357e+04    1.04603e+03   -2.72070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45188e+03    1.04569e+05    2.78021e+05   -1.71325e+04   -2.14801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20289e+04   -1.72942e+06    3.47673e+05   -1.38175e+06   -1.36652e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12023e+02   -2.10595e+02   -1.27508e+02    4.00378e-06

           Step           Time
        1425000     2850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53810e+03    1.84283e+04    1.24142e+04    1.11481e+03   -2.80038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57011e+03    1.04102e+05    2.81185e+05   -1.71879e+04   -2.15117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21348e+04   -1.72967e+06    3.47702e+05   -1.38197e+06   -1.36648e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12049e+02   -2.11957e+02    8.91550e+01    4.17527e-06

           Step           Time
        1430000     2860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70680e+03    1.83147e+04    1.25973e+04    1.06639e+03   -2.89333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46663e+03    1.03711e+05    2.78973e+05   -1.71378e+04   -2.15082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20467e+04   -1.73197e+06    3.47157e+05   -1.38481e+06   -1.36642e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11560e+02   -2.10724e+02   -1.19392e+02    4.02599e-06

           Step           Time
        1435000     2870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49008e+03    1.84241e+04    1.25721e+04    9.56735e+02   -2.78148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47241e+03    1.04399e+05    2.79349e+05   -1.71556e+04   -2.14542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22312e+04   -1.72546e+06    3.49255e+05   -1.37620e+06   -1.36639e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13443e+02   -2.11162e+02    2.68220e+01    4.08641e-06

           Step           Time
        1440000     2880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56843e+03    1.84309e+04    1.24244e+04    1.00072e+03   -2.85309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45923e+03    1.03818e+05    2.76499e+05   -1.71513e+04   -2.14424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20139e+04   -1.72803e+06    3.49835e+05   -1.37819e+06   -1.36641e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13963e+02   -2.11056e+02   -1.59036e+02    4.07732e-06

           Step           Time
        1445000     2890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34100e+03    1.82021e+04    1.26445e+04    1.12770e+03   -2.81018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57545e+03    1.03750e+05    2.77718e+05   -1.71789e+04   -2.14765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19168e+04   -1.73036e+06    3.49525e+05   -1.38084e+06   -1.36638e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13685e+02   -2.11735e+02   -4.10753e+01    4.04685e-06

           Step           Time
        1450000     2900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67374e+03    1.83804e+04    1.27606e+04    1.14085e+03   -2.83027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53470e+03    1.03776e+05    2.79215e+05   -1.71436e+04   -2.14795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20445e+04   -1.72840e+06    3.49397e+05   -1.37900e+06   -1.36636e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13570e+02   -2.10866e+02   -3.93477e+01    4.15153e-06

           Step           Time
        1455000     2910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68195e+03    1.82731e+04    1.28085e+04    1.08106e+03   -2.83075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44416e+03    1.03941e+05    2.78618e+05   -1.71877e+04   -2.14812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21007e+04   -1.72919e+06    3.50833e+05   -1.37836e+06   -1.36629e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14859e+02   -2.11951e+02   -6.05149e+01    4.05277e-06

           Step           Time
        1460000     2920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59941e+03    1.87515e+04    1.25879e+04    1.06880e+03   -2.78555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40231e+03    1.03407e+05    2.78683e+05   -1.72178e+04   -2.14829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21016e+04   -1.72969e+06    3.49604e+05   -1.38009e+06   -1.36627e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13756e+02   -2.12695e+02   -1.24970e+01    4.05038e-06

           Step           Time
        1465000     2930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65745e+03    1.78256e+04    1.25144e+04    1.09507e+03   -2.87580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58633e+03    1.04480e+05    2.80248e+05   -1.71987e+04   -2.15057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22895e+04   -1.72995e+06    3.47953e+05   -1.38200e+06   -1.36624e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12274e+02   -2.12223e+02    6.83708e+01    4.23339e-06

           Step           Time
        1470000     2940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50351e+03    1.82881e+04    1.25355e+04    1.13237e+03   -2.85569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56701e+03    1.03947e+05    2.78160e+05   -1.71515e+04   -2.14617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21817e+04   -1.72786e+06    3.48959e+05   -1.37890e+06   -1.36618e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13177e+02   -2.11062e+02   -2.49749e+01    4.02010e-06

           Step           Time
        1475000     2950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53684e+03    1.82538e+04    1.24960e+04    1.08871e+03   -2.77446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50736e+03    1.03847e+05    2.77860e+05   -1.71587e+04   -2.14872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21841e+04   -1.73088e+06    3.47908e+05   -1.38297e+06   -1.36615e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12234e+02   -2.11239e+02   -9.03120e+01    3.86725e-06

           Step           Time
        1480000     2960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62887e+03    1.84676e+04    1.23164e+04    1.11673e+03   -2.80122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54133e+03    1.03479e+05    2.79839e+05   -1.71943e+04   -2.15160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22778e+04   -1.73192e+06    3.47303e+05   -1.38462e+06   -1.36611e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11691e+02   -2.12116e+02   -1.79317e+01    3.87429e-06

Writing checkpoint, step 1482500 at Thu Dec  7 05:27:56 2023


           Step           Time
        1485000     2970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67832e+03    1.83943e+04    1.25684e+04    1.08968e+03   -2.80770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55052e+03    1.03804e+05    2.79447e+05   -1.71618e+04   -2.14976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19376e+04   -1.73026e+06    3.48628e+05   -1.38163e+06   -1.36612e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12880e+02   -2.11315e+02   -5.13540e+00    3.96553e-06

           Step           Time
        1490000     2980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50030e+03    1.80049e+04    1.26371e+04    1.07706e+03   -2.76562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53375e+03    1.04411e+05    2.79735e+05   -1.71503e+04   -2.14944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20396e+04   -1.72942e+06    3.50047e+05   -1.37937e+06   -1.36611e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14153e+02   -2.11032e+02    5.92839e+01    3.94847e-06

           Step           Time
        1495000     2990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65826e+03    1.82828e+04    1.26894e+04    1.06320e+03   -2.83490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53420e+03    1.03951e+05    2.79119e+05   -1.71762e+04   -2.14928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23046e+04   -1.72968e+06    3.48570e+05   -1.38111e+06   -1.36602e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12828e+02   -2.11669e+02    1.55794e+01    3.80762e-06

           Step           Time
        1500000     3000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29078e+03    1.86201e+04    1.24572e+04    1.04986e+03   -2.93091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58803e+03    1.04131e+05    2.77365e+05   -1.71441e+04   -2.14614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21762e+04   -1.72853e+06    3.48529e+05   -1.38001e+06   -1.36599e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12791e+02   -2.10880e+02   -2.45292e+01    4.07082e-06

           Step           Time
        1505000     3010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41369e+03    1.83201e+04    1.25929e+04    1.07856e+03   -2.81445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47449e+03    1.03839e+05    2.79790e+05   -1.71884e+04   -2.15212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19982e+04   -1.73262e+06    3.50196e+05   -1.38242e+06   -1.36597e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14288e+02   -2.11970e+02    2.61789e+01    4.06724e-06

           Step           Time
        1510000     3020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29601e+03    1.84114e+04    1.25325e+04    1.16604e+03   -2.92766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49159e+03    1.04182e+05    2.80079e+05   -1.71586e+04   -2.15297e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21126e+04   -1.73279e+06    3.49296e+05   -1.38349e+06   -1.36593e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13479e+02   -2.11237e+02    1.99832e+01    4.02305e-06

           Step           Time
        1515000     3030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44992e+03    1.83782e+04    1.27406e+04    1.07145e+03   -2.93452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51119e+03    1.03734e+05    2.77847e+05   -1.71875e+04   -2.14801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21820e+04   -1.73022e+06    3.47002e+05   -1.38322e+06   -1.36587e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11421e+02   -2.11948e+02   -9.59157e+01    4.22152e-06

           Step           Time
        1520000     3040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45636e+03    1.87289e+04    1.25871e+04    1.02637e+03   -2.91834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46363e+03    1.03684e+05    2.79945e+05   -1.71898e+04   -2.15019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20701e+04   -1.73034e+06    3.49123e+05   -1.38121e+06   -1.36583e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13324e+02   -2.12004e+02   -8.64140e+00    4.09371e-06

           Step           Time
        1525000     3050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75522e+03    1.86731e+04    1.24084e+04    1.07705e+03   -2.86300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41209e+03    1.04079e+05    2.78127e+05   -1.71206e+04   -2.14794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20759e+04   -1.72931e+06    3.49113e+05   -1.38020e+06   -1.36582e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13315e+02   -2.10304e+02   -8.60098e+01    4.04821e-06

           Step           Time
        1530000     3060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66387e+03    1.83465e+04    1.24706e+04    1.03662e+03   -2.89248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43158e+03    1.03993e+05    2.80652e+05   -1.71751e+04   -2.15237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20590e+04   -1.73178e+06    3.48212e+05   -1.38357e+06   -1.36578e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12507e+02   -2.11642e+02    8.17038e+00    4.04727e-06

           Step           Time
        1535000     3070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40621e+03    1.80839e+04    1.24719e+04    1.14946e+03   -2.73977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56751e+03    1.04232e+05    2.79331e+05   -1.71910e+04   -2.14744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20617e+04   -1.72806e+06    3.49176e+05   -1.37889e+06   -1.36574e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13372e+02   -2.12032e+02    4.40344e+01    4.24726e-06

           Step           Time
        1540000     3080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48711e+03    1.83349e+04    1.23968e+04    1.16570e+03   -2.90479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58383e+03    1.04206e+05    2.78053e+05   -1.72269e+04   -2.14773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22632e+04   -1.72938e+06    3.47382e+05   -1.38199e+06   -1.36571e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11762e+02   -2.12919e+02    1.61294e+01    3.98007e-06

           Step           Time
        1545000     3090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72415e+03    1.81430e+04    1.25170e+04    1.02464e+03   -2.86416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33937e+03    1.04067e+05    2.79669e+05   -1.71972e+04   -2.15156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20898e+04   -1.73205e+06    3.50616e+05   -1.38143e+06   -1.36572e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14664e+02   -2.12187e+02    1.84504e+00    4.01093e-06

           Step           Time
        1550000     3100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67428e+03    1.81854e+04    1.25793e+04    1.10326e+03   -2.92409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52154e+03    1.04053e+05    2.79950e+05   -1.71323e+04   -2.14944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21922e+04   -1.72923e+06    3.48007e+05   -1.38123e+06   -1.36566e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12323e+02   -2.10590e+02    1.33333e+00    4.15167e-06

           Step           Time
        1555000     3110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64993e+03    1.81509e+04    1.26063e+04    1.05035e+03   -2.94112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45619e+03    1.04287e+05    2.80436e+05   -1.71768e+04   -2.15093e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20894e+04   -1.73032e+06    3.48694e+05   -1.38163e+06   -1.36558e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12940e+02   -2.11683e+02    2.77994e+01    4.24447e-06

           Step           Time
        1560000     3120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55115e+03    1.85650e+04    1.25368e+04    1.12468e+03   -2.79281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60608e+03    1.03848e+05    2.79718e+05   -1.71751e+04   -2.14821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22283e+04   -1.72800e+06    3.48677e+05   -1.37932e+06   -1.36555e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12924e+02   -2.11642e+02    4.22536e+01    3.94533e-06

           Step           Time
        1565000     3130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41658e+03    1.77488e+04    1.24996e+04    1.12107e+03   -2.74481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60346e+03    1.04097e+05    2.80354e+05   -1.72029e+04   -2.14938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21433e+04   -1.72934e+06    3.47247e+05   -1.38209e+06   -1.36559e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11640e+02   -2.12328e+02    1.00248e+02    4.17702e-06

           Step           Time
        1570000     3140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62471e+03    1.84004e+04    1.25118e+04    1.03998e+03   -2.83857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58224e+03    1.04508e+05    2.78785e+05   -1.71448e+04   -2.14653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21804e+04   -1.72688e+06    3.47188e+05   -1.37970e+06   -1.36550e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11587e+02   -2.10897e+02   -6.16285e+00    3.99514e-06

           Step           Time
        1575000     3150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61443e+03    1.85356e+04    1.25763e+04    1.21389e+03   -2.77060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43986e+03    1.03509e+05    2.79546e+05   -1.71626e+04   -2.14803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22707e+04   -1.72826e+06    3.49194e+05   -1.37906e+06   -1.36548e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13388e+02   -2.11333e+02    7.12381e+01    4.11264e-06

           Step           Time
        1580000     3160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34791e+03    1.79576e+04    1.25565e+04    1.04150e+03   -2.80623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61108e+03    1.04370e+05    2.80970e+05   -1.71578e+04   -2.15160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21209e+04   -1.73059e+06    3.49355e+05   -1.38123e+06   -1.36549e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13533e+02   -2.11217e+02    7.54122e+01    4.07458e-06

           Step           Time
        1585000     3170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50030e+03    1.85689e+04    1.23755e+04    1.09554e+03   -2.84107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57069e+03    1.04033e+05    2.77534e+05   -1.71362e+04   -2.14782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22070e+04   -1.72991e+06    3.49489e+05   -1.38042e+06   -1.36543e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13653e+02   -2.10684e+02   -8.16061e+01    4.20643e-06

           Step           Time
        1590000     3180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68470e+03    1.86799e+04    1.23978e+04    1.06747e+03   -2.86122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49184e+03    1.03432e+05    2.79940e+05   -1.71796e+04   -2.15283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20516e+04   -1.73312e+06    3.48710e+05   -1.38441e+06   -1.36534e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12953e+02   -2.11752e+02    8.40851e+00    4.01781e-06

           Step           Time
        1595000     3190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42226e+03    1.90794e+04    1.26044e+04    1.10478e+03   -2.86754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53660e+03    1.04066e+05    2.77460e+05   -1.71807e+04   -2.14501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19583e+04   -1.72682e+06    3.50654e+05   -1.37617e+06   -1.36532e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14698e+02   -2.11779e+02    4.53930e+01    4.16746e-06

           Step           Time
        1600000     3200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46527e+03    1.82513e+04    1.25680e+04    1.16343e+03   -2.71382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53474e+03    1.04091e+05    2.78996e+05   -1.71880e+04   -2.14686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21743e+04   -1.72752e+06    3.48983e+05   -1.37854e+06   -1.36528e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13199e+02   -2.11960e+02    1.31141e+01    4.10135e-06

           Step           Time
        1605000     3210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33022e+03    1.80672e+04    1.25324e+04    1.03771e+03   -2.77733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56150e+03    1.04462e+05    2.76661e+05   -1.71677e+04   -2.14742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22193e+04   -1.73049e+06    3.46565e+05   -1.38393e+06   -1.36527e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11029e+02   -2.11459e+02   -1.01614e+02    4.15596e-06

           Step           Time
        1610000     3220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75170e+03    1.83670e+04    1.27035e+04    1.16246e+03   -2.96194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40486e+03    1.04008e+05    2.79926e+05   -1.71694e+04   -2.15045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19557e+04   -1.73030e+06    3.49710e+05   -1.38059e+06   -1.36519e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13851e+02   -2.11502e+02   -2.41415e+01    4.06095e-06

           Step           Time
        1615000     3230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52595e+03    1.85057e+04    1.26820e+04    1.09556e+03   -2.78899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58372e+03    1.03952e+05    2.79640e+05   -1.71679e+04   -2.15079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21237e+04   -1.73064e+06    3.49599e+05   -1.38104e+06   -1.36515e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13751e+02   -2.11465e+02   -3.07623e+01    3.91863e-06

           Step           Time
        1620000     3240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75768e+03    1.80921e+04    1.24337e+04    1.11206e+03   -2.81265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48520e+03    1.04156e+05    2.75733e+05   -1.71028e+04   -2.14302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22421e+04   -1.72692e+06    3.48347e+05   -1.37857e+06   -1.36515e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12628e+02   -2.09867e+02   -2.01932e+02    4.08444e-06

           Step           Time
        1625000     3250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55050e+03    1.86091e+04    1.24400e+04    1.15332e+03   -2.87533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54004e+03    1.04060e+05    2.80498e+05   -1.71631e+04   -2.14836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20225e+04   -1.72752e+06    3.49439e+05   -1.37808e+06   -1.36507e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13608e+02   -2.11347e+02    1.16503e+02    4.09096e-06

           Step           Time
        1630000     3260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59826e+03    1.83064e+04    1.23272e+04    1.07591e+03   -2.79620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56985e+03    1.04136e+05    2.77177e+05   -1.71490e+04   -2.14493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21742e+04   -1.72751e+06    3.49687e+05   -1.37782e+06   -1.36508e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13830e+02   -2.10999e+02   -3.31269e+01    4.05165e-06

           Step           Time
        1635000     3270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71982e+03    1.83057e+04    1.25356e+04    1.01121e+03   -2.83266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58479e+03    1.03296e+05    2.77626e+05   -1.71604e+04   -2.14564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22146e+04   -1.72834e+06    3.49216e+05   -1.37913e+06   -1.36507e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13408e+02   -2.11282e+02   -6.24823e+01    4.00711e-06

           Step           Time
        1640000     3280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52099e+03    1.84912e+04    1.25300e+04    1.10344e+03   -2.89229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57156e+03    1.03461e+05    2.77507e+05   -1.71334e+04   -2.14557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20236e+04   -1.72839e+06    3.49886e+05   -1.37850e+06   -1.36504e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14009e+02   -2.10616e+02   -6.44651e+01    4.06613e-06

           Step           Time
        1645000     3290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20247e+03    1.80342e+04    1.25318e+04    1.09821e+03   -2.80620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56846e+03    1.04324e+05    2.77679e+05   -1.71948e+04   -2.14780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20017e+04   -1.73036e+06    3.48635e+05   -1.38172e+06   -1.36502e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12886e+02   -2.12128e+02    2.01817e+01    4.02544e-06

           Step           Time
        1650000     3300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65671e+03    1.78415e+04    1.24630e+04    1.09569e+03   -2.90506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41960e+03    1.03901e+05    2.78282e+05   -1.71950e+04   -2.14861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20928e+04   -1.73096e+06    3.49352e+05   -1.38160e+06   -1.36501e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13529e+02   -2.12132e+02    1.10182e+01    4.00572e-06

           Step           Time
        1655000     3310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62647e+03    1.86586e+04    1.24207e+04    1.12918e+03   -2.78826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56209e+03    1.03793e+05    2.79903e+05   -1.71646e+04   -2.14845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21199e+04   -1.72819e+06    3.49072e+05   -1.37912e+06   -1.36494e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13278e+02   -2.11383e+02    6.94585e+01    4.09410e-06

           Step           Time
        1660000     3320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52610e+03    1.83200e+04    1.24803e+04    1.12666e+03   -2.79145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48989e+03    1.04499e+05    2.79305e+05   -1.71385e+04   -2.14945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24363e+04   -1.72919e+06    3.50157e+05   -1.37904e+06   -1.36493e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14252e+02   -2.10741e+02   -2.60972e+00    4.26172e-06

           Step           Time
        1665000     3330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65954e+03    1.84315e+04    1.24562e+04    1.13263e+03   -2.75211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44939e+03    1.03668e+05    2.78812e+05   -1.71407e+04   -2.14647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19238e+04   -1.72783e+06    3.49721e+05   -1.37810e+06   -1.36488e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13861e+02   -2.10797e+02   -9.17915e+01    4.11928e-06

           Step           Time
        1670000     3340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65021e+03    1.84246e+04    1.25869e+04    1.08011e+03   -2.85808e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51240e+03    1.04049e+05    2.78128e+05   -1.71462e+04   -2.14786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21914e+04   -1.72924e+06    3.47965e+05   -1.38128e+06   -1.36482e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12285e+02   -2.10931e+02   -4.58670e+01    4.00345e-06

           Step           Time
        1675000     3350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49110e+03    1.82202e+04    1.26977e+04    1.17628e+03   -2.82024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50793e+03    1.03626e+05    2.80851e+05   -1.71708e+04   -2.14973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22077e+04   -1.72894e+06    3.49753e+05   -1.37919e+06   -1.36481e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13889e+02   -2.11536e+02    7.48459e+01    4.22204e-06

           Step           Time
        1680000     3360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53486e+03    1.83578e+04    1.24594e+04    1.12287e+03   -2.82321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47318e+03    1.04105e+05    2.79107e+05   -1.71937e+04   -2.14856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19613e+04   -1.72946e+06    3.48707e+05   -1.38075e+06   -1.36478e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12951e+02   -2.12101e+02   -2.59738e+01    4.21110e-06

           Step           Time
        1685000     3370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36955e+03    1.81592e+04    1.24163e+04    1.12305e+03   -2.74998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50295e+03    1.03996e+05    2.78336e+05   -1.71831e+04   -2.14935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21125e+04   -1.73127e+06    3.47499e+05   -1.38377e+06   -1.36475e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11867e+02   -2.11840e+02   -8.14360e+01    4.19272e-06

           Step           Time
        1690000     3380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50936e+03    1.82318e+04    1.23516e+04    1.14525e+03   -2.84082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44467e+03    1.04278e+05    2.77849e+05   -1.71535e+04   -2.14758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21740e+04   -1.72959e+06    3.47033e+05   -1.38256e+06   -1.36468e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11449e+02   -2.11111e+02   -7.51096e+01    4.15399e-06

           Step           Time
        1695000     3390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42813e+03    1.84475e+04    1.26680e+04    1.02239e+03   -2.87542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44366e+03    1.03793e+05    2.82686e+05   -1.71632e+04   -2.15387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21979e+04   -1.73122e+06    3.47850e+05   -1.38337e+06   -1.36468e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12182e+02   -2.11350e+02    1.46467e+02    4.03260e-06

           Step           Time
        1700000     3400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54926e+03    1.78269e+04    1.25734e+04    1.08003e+03   -2.72657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54674e+03    1.04348e+05    2.77445e+05   -1.71809e+04   -2.14898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21609e+04   -1.73136e+06    3.48627e+05   -1.38273e+06   -1.36468e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12879e+02   -2.11785e+02   -6.81283e+01    4.11635e-06

           Step           Time
        1705000     3410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50819e+03    1.85094e+04    1.24101e+04    1.04056e+03   -2.85639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49382e+03    1.04059e+05    2.80242e+05   -1.71476e+04   -2.14898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19647e+04   -1.72875e+06    3.46449e+05   -1.38230e+06   -1.36459e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10925e+02   -2.10965e+02    6.16888e+01    4.06834e-06

           Step           Time
        1710000     3420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33393e+03    1.87398e+04    1.25659e+04    1.12992e+03   -2.90002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45139e+03    1.04035e+05    2.77780e+05   -1.71656e+04   -2.14669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22638e+04   -1.72845e+06    3.49110e+05   -1.37934e+06   -1.36455e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13313e+02   -2.11407e+02   -7.40059e+01    4.29239e-06

           Step           Time
        1715000     3430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35988e+03    1.83338e+04    1.25193e+04    1.13055e+03   -2.85202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59744e+03    1.04606e+05    2.81181e+05   -1.72031e+04   -2.15192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20721e+04   -1.73017e+06    3.49933e+05   -1.38024e+06   -1.36448e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14051e+02   -2.12331e+02    1.13802e+02    4.06628e-06

           Step           Time
        1720000     3440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29493e+03    1.82723e+04    1.26654e+04    1.15242e+03   -2.85544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59110e+03    1.03965e+05    2.78326e+05   -1.71217e+04   -2.14781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21269e+04   -1.72940e+06    3.49331e+05   -1.38007e+06   -1.36449e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13511e+02   -2.10328e+02   -2.53861e+01    4.17773e-06

           Step           Time
        1725000     3450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54261e+03    1.85924e+04    1.25348e+04    1.05126e+03   -2.70963e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48245e+03    1.03834e+05    2.81049e+05   -1.71710e+04   -2.15254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21741e+04   -1.73116e+06    3.47932e+05   -1.38323e+06   -1.36444e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12256e+02   -2.11541e+02    7.20662e+01    4.13504e-06

           Step           Time
        1730000     3460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42425e+03    1.80614e+04    1.23055e+04    1.03269e+03   -2.82207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46451e+03    1.04149e+05    2.80395e+05   -1.71444e+04   -2.15460e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20685e+04   -1.73466e+06    3.47439e+05   -1.38723e+06   -1.36447e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11813e+02   -2.10886e+02   -3.38370e+01    4.29139e-06

           Step           Time
        1735000     3470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56249e+03    1.82485e+04    1.23594e+04    1.11530e+03   -2.81668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57231e+03    1.04275e+05    2.79691e+05   -1.71833e+04   -2.15193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19718e+04   -1.73213e+06    3.50437e+05   -1.38169e+06   -1.36442e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14503e+02   -2.11844e+02    4.39748e+01    4.08609e-06

           Step           Time
        1740000     3480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80115e+03    1.84701e+04    1.24785e+04    1.01798e+03   -2.83082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53349e+03    1.03974e+05    2.78145e+05   -1.71377e+04   -2.14514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22971e+04   -1.72639e+06    3.48685e+05   -1.37771e+06   -1.36432e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12931e+02   -2.10723e+02   -6.48454e+01    4.22108e-06

           Step           Time
        1745000     3490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67558e+03    1.83654e+04    1.24396e+04    1.05527e+03   -2.63473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43067e+03    1.03576e+05    2.80443e+05   -1.71632e+04   -2.15068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19870e+04   -1.73050e+06    3.48496e+05   -1.38200e+06   -1.36435e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12762e+02   -2.11349e+02   -1.61146e+01    4.08479e-06

           Step           Time
        1750000     3500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62689e+03    1.83816e+04    1.24231e+04    1.05236e+03   -2.72066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60338e+03    1.03845e+05    2.81031e+05   -1.71728e+04   -2.14945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21459e+04   -1.72823e+06    3.49647e+05   -1.37858e+06   -1.36434e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13794e+02   -2.11586e+02    9.35258e+01    4.15907e-06

           Step           Time
        1755000     3510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64730e+03    1.83752e+04    1.26001e+04    1.06193e+03   -2.90867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56799e+03    1.03925e+05    2.79694e+05   -1.71443e+04   -2.15042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22404e+04   -1.73036e+06    3.48952e+05   -1.38141e+06   -1.36428e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13171e+02   -2.10884e+02    2.29713e-01    4.18078e-06

           Step           Time
        1760000     3520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76564e+03    1.81845e+04    1.25783e+04    1.11024e+03   -2.74993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60568e+03    1.04341e+05    2.78204e+05   -1.71478e+04   -2.14701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21893e+04   -1.72793e+06    3.49561e+05   -1.37837e+06   -1.36426e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13718e+02   -2.10971e+02   -2.73897e+01    4.03360e-06

           Step           Time
        1765000     3530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62994e+03    1.84139e+04    1.25069e+04    1.08199e+03   -2.84192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47424e+03    1.04090e+05    2.78908e+05   -1.71551e+04   -2.14866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22403e+04   -1.72931e+06    3.48653e+05   -1.38066e+06   -1.36421e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12902e+02   -2.11149e+02   -7.42627e+01    4.23716e-06

           Step           Time
        1770000     3540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59874e+03    1.83565e+04    1.25705e+04    1.06340e+03   -2.84883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43447e+03    1.03712e+05    2.79837e+05   -1.72109e+04   -2.14927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21237e+04   -1.72963e+06    3.50203e+05   -1.37943e+06   -1.36420e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14294e+02   -2.12523e+02    5.24376e+01    4.05742e-06

           Step           Time
        1775000     3550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52729e+03    1.82414e+04    1.24849e+04    1.09977e+03   -2.82353e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56693e+03    1.04321e+05    2.80471e+05   -1.71727e+04   -2.15152e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22295e+04   -1.73058e+06    3.48819e+05   -1.38176e+06   -1.36414e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13052e+02   -2.11582e+02    6.56209e+01    4.32966e-06

           Step           Time
        1780000     3560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68499e+03    1.84317e+04    1.25172e+04    1.11208e+03   -2.74851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59901e+03    1.03983e+05    2.77906e+05   -1.71607e+04   -2.14699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22266e+04   -1.72844e+06    3.48439e+05   -1.38000e+06   -1.36409e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12710e+02   -2.11288e+02   -1.65736e+01    4.12439e-06

           Step           Time
        1785000     3570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48176e+03    1.86197e+04    1.26136e+04    1.07374e+03   -2.81755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44201e+03    1.04262e+05    2.80100e+05   -1.71734e+04   -2.15042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20987e+04   -1.72972e+06    3.49417e+05   -1.38030e+06   -1.36409e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13588e+02   -2.11599e+02    5.44601e+01    4.13402e-06

           Step           Time
        1790000     3580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74261e+03    1.84437e+04    1.25238e+04    1.06555e+03   -2.86231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67774e+03    1.04011e+05    2.77721e+05   -1.71383e+04   -2.14593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22744e+04   -1.72747e+06    3.50217e+05   -1.37725e+06   -1.36406e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14306e+02   -2.10737e+02   -1.59311e+00    4.18171e-06

           Step           Time
        1795000     3590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50641e+03    1.81166e+04    1.24983e+04    1.20550e+03   -2.84138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56824e+03    1.04288e+05    2.80733e+05   -1.71994e+04   -2.15050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21901e+04   -1.72944e+06    3.47784e+05   -1.38165e+06   -1.36403e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12123e+02   -2.12239e+02    1.05947e+02    4.03836e-06

           Step           Time
        1800000     3600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64147e+03    1.82238e+04    1.25616e+04    1.15483e+03   -2.84017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56382e+03    1.04604e+05    2.78416e+05   -1.71399e+04   -2.14656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20139e+04   -1.72736e+06    3.48032e+05   -1.37933e+06   -1.36400e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12346e+02   -2.10776e+02   -2.45729e+01    4.16957e-06

           Step           Time
        1805000     3610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42108e+03    1.81663e+04    1.25489e+04    1.07296e+03   -2.82284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38223e+03    1.04606e+05    2.82762e+05   -1.71752e+04   -2.15358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22440e+04   -1.73037e+06    3.49226e+05   -1.38115e+06   -1.36398e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13416e+02   -2.11645e+02    1.07655e+02    4.17645e-06

           Step           Time
        1810000     3620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61064e+03    1.81838e+04    1.23108e+04    1.06252e+03   -2.80145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49293e+03    1.04235e+05    2.78515e+05   -1.71433e+04   -2.14786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22032e+04   -1.72919e+06    3.51482e+05   -1.37770e+06   -1.36396e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15442e+02   -2.10860e+02   -1.46008e+01    4.35096e-06

           Step           Time
        1815000     3630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56671e+03    1.81156e+04    1.24103e+04    1.09151e+03   -2.84232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53391e+03    1.04449e+05    2.81472e+05   -1.71764e+04   -2.15216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21261e+04   -1.73041e+06    3.48311e+05   -1.38210e+06   -1.36392e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12595e+02   -2.11674e+02    7.95829e+01    4.16314e-06

           Step           Time
        1820000     3640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48978e+03    1.79913e+04    1.25441e+04    1.17032e+03   -2.83685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52249e+03    1.04097e+05    2.77847e+05   -1.71555e+04   -2.14668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21786e+04   -1.72884e+06    3.48185e+05   -1.38065e+06   -1.36391e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12482e+02   -2.11160e+02   -1.07348e+02    4.20045e-06

           Step           Time
        1825000     3650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70700e+03    1.82530e+04    1.24715e+04    1.02258e+03   -2.90082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58105e+03    1.03965e+05    2.77847e+05   -1.71391e+04   -2.14687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20930e+04   -1.72897e+06    3.47962e+05   -1.38101e+06   -1.36381e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12282e+02   -2.10756e+02   -6.90789e+01    3.99120e-06

           Step           Time
        1830000     3660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59032e+03    1.82954e+04    1.25603e+04    1.12036e+03   -2.91937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57095e+03    1.04034e+05    2.76671e+05   -1.71603e+04   -2.14682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21248e+04   -1.72993e+06    3.47338e+05   -1.38259e+06   -1.36382e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11722e+02   -2.11278e+02   -1.30221e+02    4.07634e-06

           Step           Time
        1835000     3670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46395e+03    1.80510e+04    1.26027e+04    1.04675e+03   -2.95386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56957e+03    1.04211e+05    2.79812e+05   -1.72018e+04   -2.15111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21916e+04   -1.73131e+06    3.48013e+05   -1.38330e+06   -1.36381e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12328e+02   -2.12300e+02    6.25011e+01    4.16306e-06

           Step           Time
        1840000     3680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42836e+03    1.83464e+04    1.26056e+04    1.19974e+03   -2.90670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51355e+03    1.04255e+05    2.78798e+05   -1.71505e+04   -2.14853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20868e+04   -1.72935e+06    3.47717e+05   -1.38164e+06   -1.36375e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12062e+02   -2.11036e+02    2.20329e+00    4.08043e-06

           Step           Time
        1845000     3690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44473e+03    1.85416e+04    1.26669e+04    1.05423e+03   -2.82445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53903e+03    1.04121e+05    2.79658e+05   -1.71876e+04   -2.14941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20565e+04   -1.72934e+06    3.49786e+05   -1.37956e+06   -1.36373e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13919e+02   -2.11949e+02    4.86944e+01    4.11996e-06

           Step           Time
        1850000     3700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35917e+03    1.83123e+04    1.24728e+04    1.13546e+03   -2.77496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58823e+03    1.04180e+05    2.75384e+05   -1.71292e+04   -2.14358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21105e+04   -1.72794e+06    3.50632e+05   -1.37731e+06   -1.36373e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14678e+02   -2.10513e+02   -8.99795e+01    4.04318e-06

           Step           Time
        1855000     3710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48665e+03    1.86662e+04    1.24428e+04    1.04211e+03   -2.76049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50152e+03    1.03734e+05    2.79319e+05   -1.71797e+04   -2.14751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20473e+04   -1.72821e+06    3.50300e+05   -1.37791e+06   -1.36372e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14381e+02   -2.11754e+02    7.76030e+01    4.17262e-06

           Step           Time
        1860000     3720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36569e+03    1.80539e+04    1.23604e+04    1.11713e+03   -2.84060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60569e+03    1.04230e+05    2.76954e+05   -1.71313e+04   -2.14676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21991e+04   -1.72984e+06    3.47801e+05   -1.38204e+06   -1.36369e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12138e+02   -2.10564e+02   -1.18592e+02    4.08205e-06

           Step           Time
        1865000     3730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62901e+03    1.84925e+04    1.23228e+04    1.10075e+03   -2.85034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42900e+03    1.04125e+05    2.79628e+05   -1.71264e+04   -2.14849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21088e+04   -1.72863e+06    3.48953e+05   -1.37968e+06   -1.36364e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13172e+02   -2.10445e+02   -8.57284e+01    4.27383e-06

           Step           Time
        1870000     3740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67922e+03    1.84627e+04    1.25356e+04    1.04369e+03   -2.85204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49669e+03    1.03727e+05    2.78447e+05   -1.71492e+04   -2.14713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23029e+04   -1.72843e+06    3.48280e+05   -1.38015e+06   -1.36358e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12567e+02   -2.11004e+02    1.87713e+01    4.03234e-06

           Step           Time
        1875000     3750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75051e+03    1.82432e+04    1.25081e+04    1.13909e+03   -2.96706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42494e+03    1.03806e+05    2.78658e+05   -1.71582e+04   -2.15026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22485e+04   -1.73161e+06    3.47563e+05   -1.38404e+06   -1.36356e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11925e+02   -2.11226e+02   -1.06398e+02    4.15350e-06

           Step           Time
        1880000     3760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79489e+03    1.84338e+04    1.24352e+04    1.09144e+03   -2.81374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49040e+03    1.04055e+05    2.77025e+05   -1.71710e+04   -2.14529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21838e+04   -1.72776e+06    3.47890e+05   -1.37987e+06   -1.36350e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12218e+02   -2.11540e+02   -1.01139e+02    4.05423e-06

           Step           Time
        1885000     3770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54995e+03    1.81718e+04    1.24567e+04    1.05502e+03   -2.74708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43167e+03    1.04782e+05    2.76821e+05   -1.71157e+04   -2.14443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19715e+04   -1.72705e+06    3.49501e+05   -1.37755e+06   -1.36353e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13663e+02   -2.10183e+02   -1.07494e+02    4.38819e-06

           Step           Time
        1890000     3780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40531e+03    1.76966e+04    1.24604e+04    1.12839e+03   -2.79584e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53854e+03    1.04578e+05    2.79096e+05   -1.71628e+04   -2.14699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22042e+04   -1.72784e+06    3.50378e+05   -1.37746e+06   -1.36348e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14450e+02   -2.11339e+02    8.65931e+01    4.03404e-06

           Step           Time
        1895000     3790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59067e+03    1.82820e+04    1.24265e+04    1.18856e+03   -2.80525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57622e+03    1.04276e+05    2.78142e+05   -1.71768e+04   -2.14666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20546e+04   -1.72810e+06    3.49338e+05   -1.37877e+06   -1.36344e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13517e+02   -2.11684e+02    7.96456e+00    4.12914e-06

           Step           Time
        1900000     3800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54484e+03    1.84172e+04    1.25373e+04    1.02013e+03   -2.90079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59042e+03    1.03955e+05    2.81300e+05   -1.71851e+04   -2.15187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20997e+04   -1.73049e+06    3.48651e+05   -1.38184e+06   -1.36338e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12900e+02   -2.11887e+02    7.93716e+01    4.11017e-06

           Step           Time
        1905000     3810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65011e+03    1.81841e+04    1.23210e+04    1.15018e+03   -2.77518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54814e+03    1.03932e+05    2.78981e+05   -1.71311e+04   -2.14836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19962e+04   -1.72950e+06    3.48980e+05   -1.38052e+06   -1.36339e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13196e+02   -2.10561e+02   -4.00382e+01    4.09838e-06

           Step           Time
        1910000     3820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70240e+03    1.86009e+04    1.24421e+04    1.06271e+03   -2.83794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51879e+03    1.04820e+05    2.78836e+05   -1.71781e+04   -2.14806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21900e+04   -1.72790e+06    3.48017e+05   -1.37989e+06   -1.36329e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12332e+02   -2.11716e+02    3.78824e+01    4.03358e-06

           Step           Time
        1915000     3830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63225e+03    1.86240e+04    1.24454e+04    1.04591e+03   -2.76220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48372e+03    1.03834e+05    2.80394e+05   -1.71539e+04   -2.14897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20496e+04   -1.72838e+06    3.48772e+05   -1.37961e+06   -1.36332e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13010e+02   -2.11120e+02    1.95699e+01    4.18643e-06

           Step           Time
        1920000     3840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40494e+03    1.84765e+04    1.24488e+04    1.12072e+03   -2.83169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70162e+03    1.04459e+05    2.80237e+05   -1.71531e+04   -2.14854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19941e+04   -1.72768e+06    3.49638e+05   -1.37805e+06   -1.36325e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13787e+02   -2.11100e+02    8.83343e+01    4.23689e-06

           Step           Time
        1925000     3850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51605e+03    1.80833e+04    1.25473e+04    1.08382e+03   -2.76061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51852e+03    1.04563e+05    2.79012e+05   -1.71745e+04   -2.15049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21788e+04   -1.73092e+06    3.49630e+05   -1.38129e+06   -1.36324e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13779e+02   -2.11626e+02   -2.87328e+01    4.19416e-06

           Step           Time
        1930000     3860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48627e+03    1.83760e+04    1.24005e+04    1.10643e+03   -2.81798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61166e+03    1.04232e+05    2.79586e+05   -1.71883e+04   -2.14896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20056e+04   -1.72916e+06    3.48980e+05   -1.38018e+06   -1.36320e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13196e+02   -2.11968e+02    7.40439e+01    4.14715e-06

           Step           Time
        1935000     3870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35361e+03    1.79597e+04    1.24035e+04    1.07019e+03   -2.92661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50231e+03    1.04252e+05    2.79149e+05   -1.71363e+04   -2.14861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21037e+04   -1.72988e+06    3.47980e+05   -1.38190e+06   -1.36317e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12299e+02   -2.10688e+02    4.50516e+01    4.05854e-06

           Step           Time
        1940000     3880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70246e+03    1.88916e+04    1.23438e+04    1.05602e+03   -2.79308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48562e+03    1.03869e+05    2.77154e+05   -1.71172e+04   -2.14528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21806e+04   -1.72751e+06    3.49655e+05   -1.37785e+06   -1.36311e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13802e+02   -2.10219e+02   -1.13258e+02    4.08209e-06

           Step           Time
        1945000     3890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65643e+03    1.84035e+04    1.25303e+04    9.97085e+02   -2.84465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41857e+03    1.03757e+05    2.80339e+05   -1.71556e+04   -2.15038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22729e+04   -1.73000e+06    3.46706e+05   -1.38330e+06   -1.36304e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11155e+02   -2.11161e+02   -1.04369e+01    4.00737e-06

           Step           Time
        1950000     3900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20805e+03    1.81117e+04    1.26184e+04    1.08353e+03   -2.84903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63235e+03    1.04738e+05    2.79932e+05   -1.71965e+04   -2.15153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21520e+04   -1.73110e+06    3.48425e+05   -1.38268e+06   -1.36304e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12698e+02   -2.12169e+02    8.46982e+01    4.17148e-06

           Step           Time
        1955000     3910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50518e+03    1.85263e+04    1.26648e+04    1.17554e+03   -2.79098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47831e+03    1.04471e+05    2.79926e+05   -1.71555e+04   -2.14877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21500e+04   -1.72782e+06    3.50232e+05   -1.37758e+06   -1.36304e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14320e+02   -2.11161e+02    3.65429e+01    4.14822e-06

           Step           Time
        1960000     3920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46620e+03    1.84732e+04    1.25909e+04    1.10866e+03   -2.86697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51443e+03    1.04188e+05    2.78989e+05   -1.71510e+04   -2.14772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20970e+04   -1.72831e+06    3.48566e+05   -1.37975e+06   -1.36296e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12825e+02   -2.11050e+02    4.91679e-01    4.03779e-06

           Step           Time
        1965000     3930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42618e+03    1.82444e+04    1.26675e+04    1.07085e+03   -2.75557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68238e+03    1.04292e+05    2.77819e+05   -1.71823e+04   -2.14784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19635e+04   -1.72962e+06    3.49580e+05   -1.38004e+06   -1.36295e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13735e+02   -2.11820e+02   -5.40304e+01    4.26561e-06

           Step           Time
        1970000     3940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47236e+03    1.82888e+04    1.25832e+04    1.07638e+03   -2.73741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55774e+03    1.04044e+05    2.78327e+05   -1.71506e+04   -2.14783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20637e+04   -1.72930e+06    3.49254e+05   -1.38005e+06   -1.36292e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13442e+02   -2.11039e+02   -6.61395e+01    4.12797e-06

           Step           Time
        1975000     3950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49615e+03    1.81811e+04    1.25145e+04    1.06305e+03   -2.81268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47687e+03    1.04139e+05    2.80434e+05   -1.71599e+04   -2.14792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23121e+04   -1.72728e+06    3.48426e+05   -1.37885e+06   -1.36294e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12698e+02   -2.11269e+02    1.52314e+02    4.26757e-06

           Step           Time
        1980000     3960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79766e+03    1.84598e+04    1.24728e+04    1.07331e+03   -2.77918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44123e+03    1.04036e+05    2.79200e+05   -1.71900e+04   -2.14947e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21311e+04   -1.72983e+06    3.47561e+05   -1.38227e+06   -1.36286e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11923e+02   -2.12009e+02   -3.20489e+01    4.06613e-06

           Step           Time
        1985000     3970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56244e+03    1.78540e+04    1.23598e+04    1.11804e+03   -2.75264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49861e+03    1.04384e+05    2.79361e+05   -1.71402e+04   -2.14992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20622e+04   -1.73061e+06    3.49247e+05   -1.38137e+06   -1.36290e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13436e+02   -2.10784e+02   -9.95578e+01    4.24306e-06

           Step           Time
        1990000     3980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65717e+03    1.84620e+04    1.24006e+04    1.03923e+03   -2.81090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53516e+03    1.03880e+05    2.79296e+05   -1.71717e+04   -2.15082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19736e+04   -1.73156e+06    3.49423e+05   -1.38213e+06   -1.36285e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13594e+02   -2.11557e+02   -6.81351e+00    4.14108e-06

           Step           Time
        1995000     3990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52055e+03    1.83403e+04    1.26229e+04    1.02432e+03   -2.87783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43336e+03    1.04130e+05    2.78350e+05   -1.71647e+04   -2.14839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21329e+04   -1.72988e+06    3.48180e+05   -1.38170e+06   -1.36282e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12478e+02   -2.11386e+02   -8.69855e+01    4.15690e-06

           Step           Time
        2000000     4000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63593e+03    1.82325e+04    1.25109e+04    1.04108e+03   -2.83004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51906e+03    1.04112e+05    2.77168e+05   -1.71612e+04   -2.14441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21788e+04   -1.72700e+06    3.48889e+05   -1.37811e+06   -1.36280e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13114e+02   -2.11300e+02   -6.64425e+01    4.00708e-06

           Step           Time
        2005000     4010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74057e+03    1.88105e+04    1.24837e+04    1.11046e+03   -2.82405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46728e+03    1.04153e+05    2.78826e+05   -1.71094e+04   -2.14582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23092e+04   -1.72585e+06    3.49185e+05   -1.37667e+06   -1.36274e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13380e+02   -2.10028e+02    7.55863e+00    4.15264e-06

           Step           Time
        2010000     4020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51874e+03    1.82685e+04    1.23857e+04    1.02734e+03   -2.76876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60925e+03    1.04351e+05    2.78760e+05   -1.72150e+04   -2.14993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20086e+04   -1.73098e+06    3.47656e+05   -1.38333e+06   -1.36266e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12008e+02   -2.12626e+02    1.00493e+01    4.07218e-06

           Step           Time
        2015000     4030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51823e+03    1.79810e+04    1.23921e+04    1.08162e+03   -2.69815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63736e+03    1.03959e+05    2.79629e+05   -1.71456e+04   -2.14774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21856e+04   -1.72820e+06    3.46750e+05   -1.38145e+06   -1.36269e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11195e+02   -2.10916e+02    6.32560e+01    4.28823e-06

           Step           Time
        2020000     4040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46858e+03    1.81675e+04    1.24610e+04    1.05601e+03   -2.87990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53543e+03    1.04373e+05    2.78451e+05   -1.72028e+04   -2.14778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22715e+04   -1.72908e+06    3.48367e+05   -1.38071e+06   -1.36263e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12646e+02   -2.12323e+02    2.76055e+01    4.11788e-06

           Step           Time
        2025000     4050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52195e+03    1.85852e+04    1.24289e+04    1.05510e+03   -2.76866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58076e+03    1.03887e+05    2.77764e+05   -1.71712e+04   -2.14688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20316e+04   -1.72897e+06    3.47653e+05   -1.38132e+06   -1.36258e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12005e+02   -2.11546e+02    1.07530e+01    4.27344e-06

           Step           Time
        2030000     4060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30508e+03    1.87507e+04    1.25932e+04    1.10748e+03   -2.83054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43573e+03    1.03732e+05    2.80030e+05   -1.71506e+04   -2.14929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21240e+04   -1.72920e+06    3.48367e+05   -1.38083e+06   -1.36257e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12646e+02   -2.11038e+02    4.60022e+01    4.01165e-06

           Step           Time
        2035000     4070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66603e+03    1.86536e+04    1.24813e+04    1.06477e+03   -2.87713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48502e+03    1.04116e+05    2.77253e+05   -1.71613e+04   -2.14538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22447e+04   -1.72745e+06    3.49362e+05   -1.37809e+06   -1.36252e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13539e+02   -2.11303e+02   -5.30295e+01    4.23521e-06

           Step           Time
        2040000     4080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50039e+03    1.78596e+04    1.25366e+04    1.04171e+03   -2.88244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59244e+03    1.04578e+05    2.78226e+05   -1.71165e+04   -2.14841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19774e+04   -1.73010e+06    3.45790e+05   -1.38431e+06   -1.36250e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10333e+02   -2.10202e+02   -9.21127e+01    4.07475e-06

           Step           Time
        2045000     4090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60331e+03    1.80733e+04    1.24259e+04    1.08497e+03   -2.80714e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46124e+03    1.04921e+05    2.78132e+05   -1.71624e+04   -2.14949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21294e+04   -1.73063e+06    3.49574e+05   -1.38105e+06   -1.36251e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13729e+02   -2.11330e+02   -3.52465e+01    4.36432e-06

           Step           Time
        2050000     4100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52774e+03    1.84740e+04    1.24633e+04    1.18380e+03   -2.90060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49953e+03    1.04182e+05    2.80363e+05   -1.71867e+04   -2.14986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20775e+04   -1.72917e+06    3.49040e+05   -1.38013e+06   -1.36240e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13250e+02   -2.11928e+02    8.45807e+01    4.13020e-06

           Step           Time
        2055000     4110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65304e+03    1.84031e+04    1.23379e+04    1.06741e+03   -2.79950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43475e+03    1.04118e+05    2.79412e+05   -1.71699e+04   -2.14971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20561e+04   -1.73019e+06    3.48070e+05   -1.38212e+06   -1.36238e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12380e+02   -2.11513e+02   -6.53974e+01    4.08801e-06

           Step           Time
        2060000     4120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57155e+03    1.82295e+04    1.25806e+04    1.16363e+03   -2.81550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68658e+03    1.04195e+05    2.78641e+05   -1.71623e+04   -2.14840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20918e+04   -1.72922e+06    3.48205e+05   -1.38101e+06   -1.36234e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12500e+02   -2.11326e+02   -5.00066e+01    4.04503e-06

           Step           Time
        2065000     4130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45700e+03    1.83999e+04    1.24902e+04    1.13365e+03   -2.77138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44835e+03    1.03940e+05    2.79958e+05   -1.71483e+04   -2.14896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21776e+04   -1.72888e+06    3.49353e+05   -1.37952e+06   -1.36236e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13531e+02   -2.10982e+02    3.02089e+00    4.20131e-06

           Step           Time
        2070000     4140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49084e+03    1.82795e+04    1.25270e+04    1.08602e+03   -2.87927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56565e+03    1.04527e+05    2.79274e+05   -1.71761e+04   -2.15105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20981e+04   -1.73125e+06    3.48432e+05   -1.38282e+06   -1.36226e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12704e+02   -2.11666e+02    1.54468e+01    4.16529e-06

           Step           Time
        2075000     4150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48065e+03    1.79772e+04    1.23836e+04    1.23630e+03   -2.85590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53447e+03    1.04328e+05    2.77539e+05   -1.71173e+04   -2.14864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21035e+04   -1.73103e+06    3.47268e+05   -1.38376e+06   -1.36227e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11659e+02   -2.10222e+02   -7.14310e+01    4.04099e-06

           Step           Time
        2080000     4160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47112e+03    1.85487e+04    1.24917e+04    1.05345e+03   -2.85840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51930e+03    1.04490e+05    2.79937e+05   -1.72075e+04   -2.15097e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19302e+04   -1.73060e+06    3.48424e+05   -1.38217e+06   -1.36223e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12697e+02   -2.12439e+02    9.70500e+01    4.11068e-06

           Step           Time
        2085000     4170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59131e+03    1.81862e+04    1.27244e+04    1.21271e+03   -2.89277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54092e+03    1.04132e+05    2.79412e+05   -1.71793e+04   -2.14821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21155e+04   -1.72837e+06    3.48379e+05   -1.37999e+06   -1.36219e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12656e+02   -2.11745e+02    3.96214e+01    4.25381e-06

           Step           Time
        2090000     4180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48132e+03    1.81924e+04    1.24840e+04    1.12088e+03   -2.82431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56167e+03    1.03825e+05    2.78301e+05   -1.71540e+04   -2.14998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20565e+04   -1.73194e+06    3.48012e+05   -1.38392e+06   -1.36215e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12328e+02   -2.11122e+02   -1.12335e+02    4.04625e-06

           Step           Time
        2095000     4190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51538e+03    1.85233e+04    1.26427e+04    1.13416e+03   -2.92270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58902e+03    1.04037e+05    2.77790e+05   -1.71586e+04   -2.14774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23786e+04   -1.72921e+06    3.47605e+05   -1.38161e+06   -1.36210e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11962e+02   -2.11236e+02   -2.75146e+01    4.06165e-06

           Step           Time
        2100000     4200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67093e+03    1.83324e+04    1.26283e+04    1.04798e+03   -2.90270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40969e+03    1.04360e+05    2.77521e+05   -1.71678e+04   -2.14477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20771e+04   -1.72680e+06    3.49116e+05   -1.37768e+06   -1.36209e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13318e+02   -2.11462e+02   -1.03247e+02    4.11416e-06

           Step           Time
        2105000     4210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62751e+03    1.76399e+04    1.26730e+04    1.13466e+03   -2.82036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51731e+03    1.04136e+05    2.79704e+05   -1.71833e+04   -2.15251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20338e+04   -1.73304e+06    3.47025e+05   -1.38602e+06   -1.36205e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11442e+02   -2.11844e+02    1.76974e+00    4.20570e-06

           Step           Time
        2110000     4220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73037e+03    1.82750e+04    1.25679e+04    1.10871e+03   -2.84327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54340e+03    1.04657e+05    2.78642e+05   -1.71455e+04   -2.14710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23118e+04   -1.72725e+06    3.49904e+05   -1.37735e+06   -1.36201e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14025e+02   -2.10915e+02    1.64977e+00    4.11806e-06

           Step           Time
        2115000     4230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72970e+03    1.87256e+04    1.24282e+04    1.09955e+03   -2.82841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65760e+03    1.03814e+05    2.78961e+05   -1.71785e+04   -2.14647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23366e+04   -1.72673e+06    3.48572e+05   -1.37816e+06   -1.36191e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12830e+02   -2.11724e+02    4.57585e+00    4.14406e-06

           Step           Time
        2120000     4240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37167e+03    1.82341e+04    1.24187e+04    1.14065e+03   -2.81064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56697e+03    1.04209e+05    2.79259e+05   -1.71654e+04   -2.15044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22525e+04   -1.73096e+06    3.48719e+05   -1.38224e+06   -1.36190e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12962e+02   -2.11403e+02   -5.09003e-01    4.15832e-06

           Step           Time
        2125000     4250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28876e+03    1.89184e+04    1.25466e+04    1.17142e+03   -2.78707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51507e+03    1.04131e+05    2.78926e+05   -1.71597e+04   -2.14834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22529e+04   -1.72854e+06    3.50130e+05   -1.37841e+06   -1.36189e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14228e+02   -2.11262e+02   -2.68660e+00    4.22183e-06

           Step           Time
        2130000     4260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53579e+03    1.78412e+04    1.26670e+04    1.14177e+03   -2.77747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69063e+03    1.04335e+05    2.80738e+05   -1.71583e+04   -2.15234e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21336e+04   -1.73119e+06    3.49065e+05   -1.38213e+06   -1.36187e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13272e+02   -2.11229e+02    6.70006e+01    4.11230e-06

           Step           Time
        2135000     4270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65608e+03    1.82729e+04    1.25590e+04    1.17339e+03   -2.84576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35595e+03    1.04549e+05    2.77245e+05   -1.71244e+04   -2.14539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21516e+04   -1.72740e+06    3.49602e+05   -1.37780e+06   -1.36187e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13755e+02   -2.10395e+02   -1.71841e+02    4.16676e-06

           Step           Time
        2140000     4280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75813e+03    1.81964e+04    1.25038e+04    1.03866e+03   -2.73754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41843e+03    1.04078e+05    2.78500e+05   -1.71510e+04   -2.14831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21188e+04   -1.72958e+06    3.50080e+05   -1.37950e+06   -1.36183e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14183e+02   -2.11050e+02   -1.33697e+02    4.28507e-06

           Step           Time
        2145000     4290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45190e+03    1.81893e+04    1.26162e+04    1.10015e+03   -2.90421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56864e+03    1.04311e+05    2.77611e+05   -1.71629e+04   -2.14747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21561e+04   -1.72953e+06    3.48820e+05   -1.38071e+06   -1.36175e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13052e+02   -2.11342e+02   -7.56995e+01    3.94959e-06

           Step           Time
        2150000     4300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45585e+03    1.83234e+04    1.25568e+04    1.14554e+03   -2.85964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58357e+03    1.03967e+05    2.81169e+05   -1.71777e+04   -2.14992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19735e+04   -1.72878e+06    3.48247e+05   -1.38054e+06   -1.36170e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12538e+02   -2.11707e+02    9.04347e+01    3.98067e-06

           Step           Time
        2155000     4310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58503e+03    1.84523e+04    1.25467e+04    1.06795e+03   -2.87502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47960e+03    1.03873e+05    2.77454e+05   -1.71642e+04   -2.14431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21769e+04   -1.72672e+06    3.49631e+05   -1.37708e+06   -1.36167e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13781e+02   -2.11375e+02   -6.21179e+01    4.14772e-06

           Step           Time
        2160000     4320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65223e+03    1.86239e+04    1.25287e+04    1.02879e+03   -2.84704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68733e+03    1.04099e+05    2.80337e+05   -1.71735e+04   -2.14846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22868e+04   -1.72724e+06    3.50947e+05   -1.37629e+06   -1.36166e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14961e+02   -2.11602e+02    1.31675e+02    4.05080e-06

           Step           Time
        2165000     4330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51652e+03    1.83055e+04    1.27640e+04    1.05306e+03   -2.76727e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42380e+03    1.03507e+05    2.80155e+05   -1.71527e+04   -2.15009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19879e+04   -1.73029e+06    3.48699e+05   -1.38160e+06   -1.36163e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12944e+02   -2.11092e+02   -4.99664e+01    4.11820e-06

           Step           Time
        2170000     4340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56310e+03    1.82966e+04    1.24951e+04    1.06816e+03   -2.93645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43423e+03    1.03791e+05    2.81554e+05   -1.71511e+04   -2.15260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21165e+04   -1.73137e+06    3.49001e+05   -1.38237e+06   -1.36159e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13215e+02   -2.11052e+02   -9.42841e-01    3.99220e-06

           Step           Time
        2175000     4350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41180e+03    1.87465e+04    1.24912e+04    1.09790e+03   -2.77188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50164e+03    1.04033e+05    2.78442e+05   -1.71807e+04   -2.14640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22948e+04   -1.72734e+06    3.48377e+05   -1.37896e+06   -1.36152e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12655e+02   -2.11779e+02    2.83433e+01    4.06317e-06

           Step           Time
        2180000     4360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78166e+03    1.83003e+04    1.25681e+04    1.01128e+03   -2.67518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48397e+03    1.04065e+05    2.79244e+05   -1.71416e+04   -2.14741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20992e+04   -1.72768e+06    3.50033e+05   -1.37764e+06   -1.36151e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14141e+02   -2.10818e+02   -1.36787e+01    4.11010e-06

           Step           Time
        2185000     4370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41786e+03    1.80029e+04    1.26264e+04    1.14264e+03   -2.86623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51457e+03    1.04267e+05    2.80640e+05   -1.72177e+04   -2.15302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21108e+04   -1.73238e+06    3.49356e+05   -1.38302e+06   -1.36148e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13533e+02   -2.12691e+02    5.78669e+01    4.10950e-06

           Step           Time
        2190000     4380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67557e+03    1.80822e+04    1.25377e+04    1.14193e+03   -2.84314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58179e+03    1.03523e+05    2.79204e+05   -1.71863e+04   -2.14723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21261e+04   -1.72839e+06    3.47785e+05   -1.38060e+06   -1.36140e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12123e+02   -2.11918e+02    4.64904e+01    4.34400e-06

           Step           Time
        2195000     4390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43744e+03    1.80985e+04    1.25166e+04    1.04810e+03   -2.89452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52342e+03    1.03908e+05    2.80628e+05   -1.71668e+04   -2.15214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22506e+04   -1.73179e+06    3.47807e+05   -1.38398e+06   -1.36138e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12143e+02   -2.11438e+02    1.91092e+00    4.17359e-06

           Step           Time
        2200000     4400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41869e+03    1.79687e+04    1.23033e+04    1.06138e+03   -2.82022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54754e+03    1.03717e+05    2.79914e+05   -1.71642e+04   -2.15065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20631e+04   -1.73164e+06    3.45712e+05   -1.38593e+06   -1.36134e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10263e+02   -2.11373e+02    1.05561e+01    4.09769e-06

           Step           Time
        2205000     4410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48584e+03    1.80159e+04    1.26978e+04    1.17627e+03   -2.74147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53080e+03    1.03783e+05    2.80030e+05   -1.71777e+04   -2.14937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22285e+04   -1.72934e+06    3.47411e+05   -1.38193e+06   -1.36130e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11788e+02   -2.11705e+02   -1.83378e+01    4.22881e-06

           Step           Time
        2210000     4420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41980e+03    1.84250e+04    1.24904e+04    1.11860e+03   -2.75705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38785e+03    1.03627e+05    2.79202e+05   -1.72223e+04   -2.15030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21449e+04   -1.73146e+06    3.49250e+05   -1.38221e+06   -1.36130e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13438e+02   -2.12806e+02    2.59580e+01    4.06606e-06

           Step           Time
        2215000     4430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31944e+03    1.80198e+04    1.24736e+04    1.10588e+03   -2.83868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57665e+03    1.03666e+05    2.80288e+05   -1.71929e+04   -2.15078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19835e+04   -1.73138e+06    3.49600e+05   -1.38178e+06   -1.36127e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13753e+02   -2.12080e+02    1.35835e+02    4.19293e-06

           Step           Time
        2220000     4440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45361e+03    1.82382e+04    1.25270e+04    1.12593e+03   -2.82001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58355e+03    1.03946e+05    2.77386e+05   -1.72000e+04   -2.14819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22104e+04   -1.73074e+06    3.47149e+05   -1.38359e+06   -1.36119e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11553e+02   -2.12255e+02   -4.09741e+01    4.13408e-06

Writing checkpoint, step 2222900 at Thu Dec  7 05:42:56 2023


           Step           Time
        2225000     4450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69904e+03    1.84744e+04    1.24858e+04    1.08956e+03   -2.78033e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57302e+03    1.03651e+05    2.79970e+05   -1.71815e+04   -2.15085e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21303e+04   -1.73074e+06    3.49222e+05   -1.38151e+06   -1.36113e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13413e+02   -2.11801e+02    5.38672e+01    4.15204e-06

           Step           Time
        2230000     4460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38808e+03    1.79131e+04    1.25246e+04    1.12181e+03   -2.85773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57997e+03    1.03816e+05    2.80796e+05   -1.71880e+04   -2.15155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21070e+04   -1.73135e+06    3.49204e+05   -1.38215e+06   -1.36119e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13397e+02   -2.11959e+02    1.22405e+02    4.38970e-06

           Step           Time
        2235000     4470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54133e+03    1.83749e+04    1.23277e+04    1.11637e+03   -2.76295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44108e+03    1.03334e+05    2.81844e+05   -1.71432e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20552e+04   -1.73135e+06    3.46005e+05   -1.38535e+06   -1.36107e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10526e+02   -2.10858e+02    3.15010e+01    4.06315e-06

           Step           Time
        2240000     4480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40996e+03    1.86227e+04    1.25907e+04    1.14241e+03   -2.86808e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57803e+03    1.03435e+05    2.78794e+05   -1.71371e+04   -2.14503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21518e+04   -1.72631e+06    3.49047e+05   -1.37726e+06   -1.36105e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13257e+02   -2.10708e+02    4.53883e+01    4.02721e-06

           Step           Time
        2245000     4490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81662e+03    1.81194e+04    1.23843e+04    1.05830e+03   -2.77736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44716e+03    1.04056e+05    2.79971e+05   -1.72008e+04   -2.15047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21751e+04   -1.73042e+06    3.46938e+05   -1.38348e+06   -1.36102e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11363e+02   -2.12274e+02    7.26826e+00    4.10108e-06

           Step           Time
        2250000     4500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52486e+03    1.84635e+04    1.23737e+04    9.92365e+02   -2.69892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52415e+03    1.03400e+05    2.81506e+05   -1.72186e+04   -2.15309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19157e+04   -1.73231e+06    3.48015e+05   -1.38430e+06   -1.36100e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12330e+02   -2.12715e+02    1.33994e+02    4.02137e-06

           Step           Time
        2255000     4510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66783e+03    1.85851e+04    1.24720e+04    1.05393e+03   -2.87730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46587e+03    1.03705e+05    2.79312e+05   -1.71532e+04   -2.14897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20956e+04   -1.72964e+06    3.47197e+05   -1.38244e+06   -1.36098e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11596e+02   -2.11104e+02    5.70166e+01    4.09682e-06

           Step           Time
        2260000     4520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73198e+03    1.86791e+04    1.25922e+04    1.10175e+03   -2.81529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53507e+03    1.03533e+05    2.76844e+05   -1.71457e+04   -2.14280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21719e+04   -1.72557e+06    3.49743e+05   -1.37583e+06   -1.36096e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13880e+02   -2.10919e+02   -2.38027e+01    4.02846e-06

           Step           Time
        2265000     4530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64820e+03    1.84313e+04    1.25281e+04    1.03062e+03   -2.84045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55225e+03    1.04017e+05    2.77199e+05   -1.71328e+04   -2.14589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23774e+04   -1.72808e+06    3.49537e+05   -1.37855e+06   -1.36093e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13696e+02   -2.10603e+02   -6.82730e+01    4.15179e-06

           Step           Time
        2270000     4540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51182e+03    1.83096e+04    1.25297e+04    1.08194e+03   -2.89102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48157e+03    1.03725e+05    2.77358e+05   -1.71456e+04   -2.14674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21868e+04   -1.72959e+06    3.48036e+05   -1.38156e+06   -1.36091e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12349e+02   -2.10917e+02   -9.05572e+01    4.06681e-06

           Step           Time
        2275000     4550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64771e+03    1.85625e+04    1.25688e+04    1.05485e+03   -2.82879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50570e+03    1.03864e+05    2.81792e+05   -1.72071e+04   -2.15354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22166e+04   -1.73136e+06    3.51039e+05   -1.38032e+06   -1.36091e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15044e+02   -2.12430e+02    1.11880e+02    4.05395e-06

           Step           Time
        2280000     4560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56829e+03    1.84168e+04    1.25700e+04    1.17199e+03   -2.76535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45039e+03    1.03226e+05    2.78046e+05   -1.71432e+04   -2.14715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20015e+04   -1.72961e+06    3.48505e+05   -1.38110e+06   -1.36087e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12769e+02   -2.10858e+02   -9.09112e+01    4.17358e-06

           Step           Time
        2285000     4570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47514e+03    1.83277e+04    1.24443e+04    1.09320e+03   -2.83481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48093e+03    1.03567e+05    2.78104e+05   -1.71393e+04   -2.14884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19442e+04   -1.73138e+06    3.47247e+05   -1.38413e+06   -1.36084e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11641e+02   -2.10762e+02   -7.84725e+01    4.05710e-06

           Step           Time
        2290000     4580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56065e+03    1.82878e+04    1.24461e+04    1.02128e+03   -2.73873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66738e+03    1.03637e+05    2.76493e+05   -1.71630e+04   -2.14474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21787e+04   -1.72835e+06    3.48985e+05   -1.37937e+06   -1.36082e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13200e+02   -2.11343e+02   -1.28875e+02    4.23355e-06

           Step           Time
        2295000     4590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54515e+03    1.86747e+04    1.24283e+04    1.11385e+03   -2.71122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61447e+03    1.03582e+05    2.79971e+05   -1.71703e+04   -2.14940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19770e+04   -1.72938e+06    3.48809e+05   -1.38057e+06   -1.36071e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13043e+02   -2.11525e+02    8.55023e+01    4.04243e-06

           Step           Time
        2300000     4600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53670e+03    1.82217e+04    1.24964e+04    1.00547e+03   -2.73789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53474e+03    1.03887e+05    2.79291e+05   -1.71328e+04   -2.15069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21149e+04   -1.73148e+06    3.48895e+05   -1.38258e+06   -1.36079e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13120e+02   -2.10602e+02   -5.17444e+01    4.00814e-06

           Step           Time
        2305000     4610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58264e+03    1.85851e+04    1.24380e+04    1.04333e+03   -2.71268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41890e+03    1.03382e+05    2.80432e+05   -1.72231e+04   -2.15160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21567e+04   -1.73150e+06    3.47215e+05   -1.38428e+06   -1.36066e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11612e+02   -2.12825e+02    8.29242e+00    4.10603e-06

           Step           Time
        2310000     4620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70803e+03    1.83965e+04    1.23972e+04    1.14061e+03   -2.68056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58581e+03    1.03848e+05    2.76544e+05   -1.71411e+04   -2.14585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22779e+04   -1.72877e+06    3.49620e+05   -1.37915e+06   -1.36065e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13770e+02   -2.10806e+02   -1.12183e+02    4.03665e-06

           Step           Time
        2315000     4630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29702e+03    1.83124e+04    1.22424e+04    1.06882e+03   -2.74013e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51006e+03    1.03843e+05    2.79500e+05   -1.71920e+04   -2.15051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21251e+04   -1.73154e+06    3.48093e+05   -1.38345e+06   -1.36063e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12400e+02   -2.12059e+02    1.70498e+01    4.10252e-06

           Step           Time
        2320000     4640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43403e+03    1.82266e+04    1.26122e+04    1.18563e+03   -2.70754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50745e+03    1.03797e+05    2.82318e+05   -1.71511e+04   -2.15401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22003e+04   -1.73159e+06    3.49711e+05   -1.38188e+06   -1.36057e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13852e+02   -2.11050e+02    1.30810e+02    3.92273e-06

           Step           Time
        2325000     4650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49519e+03    1.82961e+04    1.24372e+04    1.09566e+03   -2.68180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49375e+03    1.03660e+05    2.79810e+05   -1.71849e+04   -2.15094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19726e+04   -1.73155e+06    3.48792e+05   -1.38276e+06   -1.36055e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13027e+02   -2.11883e+02    1.13525e+00    4.15006e-06

           Step           Time
        2330000     4660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39184e+03    1.87659e+04    1.24813e+04    1.17036e+03   -2.73667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50525e+03    1.03817e+05    2.78904e+05   -1.71539e+04   -2.14832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21970e+04   -1.72898e+06    3.50250e+05   -1.37873e+06   -1.36052e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14336e+02   -2.11121e+02    4.92683e+00    4.20315e-06

           Step           Time
        2335000     4670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58437e+03    1.87612e+04    1.25234e+04    1.04390e+03   -2.80022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45155e+03    1.03923e+05    2.78017e+05   -1.71437e+04   -2.14551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21123e+04   -1.72704e+06    3.48284e+05   -1.37875e+06   -1.36049e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12572e+02   -2.10870e+02   -4.28954e+01    4.08533e-06

           Step           Time
        2340000     4680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63174e+03    1.81414e+04    1.24391e+04    1.07040e+03   -2.76948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54248e+03    1.04206e+05    2.79200e+05   -1.71816e+04   -2.14812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21467e+04   -1.72869e+06    3.50029e+05   -1.37867e+06   -1.36047e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14137e+02   -2.11802e+02   -6.97384e+00    4.14064e-06

           Step           Time
        2345000     4690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35728e+03    1.81402e+04    1.23934e+04    1.03412e+03   -2.69780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63473e+03    1.04386e+05    2.79721e+05   -1.71535e+04   -2.14985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22559e+04   -1.72978e+06    3.48254e+05   -1.38152e+06   -1.36047e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12545e+02   -2.11112e+02    7.37953e+01    4.06749e-06

           Step           Time
        2350000     4700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58960e+03    1.84677e+04    1.23235e+04    1.06755e+03   -2.69089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46144e+03    1.03995e+05    2.79649e+05   -1.71529e+04   -2.14872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20495e+04   -1.72896e+06    3.48769e+05   -1.38019e+06   -1.36038e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13007e+02   -2.11097e+02    3.46408e+01    3.98349e-06

           Step           Time
        2355000     4710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67594e+03    1.83381e+04    1.24184e+04    1.15616e+03   -2.67949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56791e+03    1.04130e+05    2.79545e+05   -1.71534e+04   -2.14946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20607e+04   -1.72940e+06    3.49259e+05   -1.38014e+06   -1.36032e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13446e+02   -2.11107e+02   -2.66564e+01    4.18160e-06

           Step           Time
        2360000     4720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64727e+03    1.86598e+04    1.24209e+04    1.14433e+03   -2.76564e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49028e+03    1.03428e+05    2.79098e+05   -1.71708e+04   -2.14822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21823e+04   -1.72908e+06    3.48870e+05   -1.38021e+06   -1.36029e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13097e+02   -2.11536e+02   -3.97551e+00    4.09471e-06

           Step           Time
        2365000     4730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70207e+03    1.84477e+04    1.24002e+04    1.04973e+03   -2.77024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36218e+03    1.03640e+05    2.79254e+05   -1.71363e+04   -2.14782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21818e+04   -1.72869e+06    3.48450e+05   -1.38024e+06   -1.36026e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12721e+02   -2.10689e+02   -3.71436e+01    4.06844e-06

           Step           Time
        2370000     4740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78984e+03    1.84020e+04    1.22843e+04    1.03233e+03   -2.84538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49542e+03    1.03595e+05    2.81221e+05   -1.71893e+04   -2.15114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21912e+04   -1.73017e+06    3.49277e+05   -1.38089e+06   -1.36018e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13463e+02   -2.11993e+02    1.17530e+02    4.21304e-06

           Step           Time
        2375000     4750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71367e+03    1.85102e+04    1.23585e+04    1.08467e+03   -2.83048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57014e+03    1.03941e+05    2.77993e+05   -1.71983e+04   -2.14766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19926e+04   -1.72952e+06    3.47201e+05   -1.38232e+06   -1.36011e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11599e+02   -2.12212e+02    3.39420e+01    3.95741e-06

           Step           Time
        2380000     4760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61512e+03    1.80669e+04    1.26547e+04    1.00168e+03   -2.66606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39571e+03    1.04033e+05    2.78924e+05   -1.71780e+04   -2.14968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21358e+04   -1.73069e+06    3.48720e+05   -1.38198e+06   -1.36013e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12962e+02   -2.11712e+02   -2.06623e+01    3.98338e-06

           Step           Time
        2385000     4770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56961e+03    1.84166e+04    1.25697e+04    1.06921e+03   -2.69805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45102e+03    1.03684e+05    2.76514e+05   -1.71827e+04   -2.14578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19591e+04   -1.72942e+06    3.48184e+05   -1.38124e+06   -1.36014e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12481e+02   -2.11830e+02   -1.71287e+02    4.04293e-06

           Step           Time
        2390000     4780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75213e+03    1.83563e+04    1.24682e+04    1.13855e+03   -2.83870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42175e+03    1.03691e+05    2.76391e+05   -1.71730e+04   -2.14640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18094e+04   -1.73038e+06    3.50784e+05   -1.37960e+06   -1.36014e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14815e+02   -2.11589e+02   -1.19237e+02    4.09241e-06

           Step           Time
        2395000     4790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49228e+03    1.79264e+04    1.25949e+04    1.20142e+03   -2.83732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54216e+03    1.03917e+05    2.77547e+05   -1.71289e+04   -2.14771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21586e+04   -1.73029e+06    3.47651e+05   -1.38264e+06   -1.36006e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12003e+02   -2.10505e+02   -1.13865e+02    4.17630e-06

           Step           Time
        2400000     4800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52966e+03    1.85147e+04    1.25215e+04    1.13172e+03   -2.72831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58185e+03    1.03807e+05    2.79508e+05   -1.71438e+04   -2.15035e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20913e+04   -1.73053e+06    3.49813e+05   -1.38072e+06   -1.36001e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13943e+02   -2.10873e+02    1.98471e+01    4.02511e-06

           Step           Time
        2405000     4810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36475e+03    1.80707e+04    1.26040e+04    1.09708e+03   -2.79086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61044e+03    1.04354e+05    2.78201e+05   -1.71490e+04   -2.14968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19440e+04   -1.73137e+06    3.47886e+05   -1.38349e+06   -1.36001e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12214e+02   -2.11000e+02   -6.54418e+01    4.04921e-06

           Step           Time
        2410000     4820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27362e+03    1.84936e+04    1.25582e+04    1.02760e+03   -2.70831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59518e+03    1.04106e+05    2.79442e+05   -1.71845e+04   -2.15024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22470e+04   -1.73039e+06    3.49581e+05   -1.38081e+06   -1.35997e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13735e+02   -2.11874e+02   -2.79706e+01    4.18733e-06

           Step           Time
        2415000     4830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60590e+03    1.86478e+04    1.28229e+04    1.12823e+03   -2.74687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48993e+03    1.03833e+05    2.78031e+05   -1.71459e+04   -2.14618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19577e+04   -1.72756e+06    3.50428e+05   -1.37713e+06   -1.35990e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14495e+02   -2.10923e+02    7.90058e+00    4.21684e-06

           Step           Time
        2420000     4840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53029e+03    1.80214e+04    1.24535e+04    1.10793e+03   -2.88076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45786e+03    1.03529e+05    2.80096e+05   -1.71792e+04   -2.15027e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20370e+04   -1.73110e+06    3.47176e+05   -1.38392e+06   -1.35987e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11577e+02   -2.11744e+02   -7.50825e+01    4.07262e-06

           Step           Time
        2425000     4850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58099e+03    1.82187e+04    1.24572e+04    1.09952e+03   -2.64163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62848e+03    1.03667e+05    2.81380e+05   -1.72091e+04   -2.15257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21043e+04   -1.73128e+06    3.49246e+05   -1.38203e+06   -1.35980e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13434e+02   -2.12481e+02    7.79006e+01    4.04277e-06

           Step           Time
        2430000     4860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56116e+03    1.80085e+04    1.23256e+04    1.11346e+03   -2.82437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59806e+03    1.04235e+05    2.78538e+05   -1.71542e+04   -2.14682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20591e+04   -1.72836e+06    3.47325e+05   -1.38103e+06   -1.35981e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11711e+02   -2.11128e+02    5.05258e+01    4.04063e-06

           Step           Time
        2435000     4870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28486e+03    1.80764e+04    1.24000e+04    1.04250e+03   -2.83208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48582e+03    1.04013e+05    2.79932e+05   -1.71525e+04   -2.14945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22477e+04   -1.72995e+06    3.46871e+05   -1.38308e+06   -1.35978e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11303e+02   -2.11086e+02   -2.65408e+01    3.97057e-06

           Step           Time
        2440000     4880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61448e+03    1.78597e+04    1.24412e+04    1.07961e+03   -2.71001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54254e+03    1.04418e+05    2.77951e+05   -1.72046e+04   -2.14791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21033e+04   -1.72982e+06    3.48491e+05   -1.38133e+06   -1.35976e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12757e+02   -2.12370e+02   -3.99568e+01    3.97231e-06

           Step           Time
        2445000     4890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48563e+03    1.84672e+04    1.24846e+04    9.94530e+02   -2.86567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53496e+03    1.04228e+05    2.80069e+05   -1.72016e+04   -2.14931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21438e+04   -1.72897e+06    3.49851e+05   -1.37911e+06   -1.35975e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13978e+02   -2.12294e+02    1.14691e+02    4.05317e-06

           Step           Time
        2450000     4900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62298e+03    1.87777e+04    1.22146e+04    1.10603e+03   -2.79361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48230e+03    1.04012e+05    2.81239e+05   -1.71781e+04   -2.15122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21127e+04   -1.72962e+06    3.48757e+05   -1.38087e+06   -1.35969e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12996e+02   -2.11715e+02    6.86762e+01    4.12168e-06

           Step           Time
        2455000     4910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57319e+03    1.82317e+04    1.25892e+04    1.10091e+03   -2.81006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45745e+03    1.04058e+05    2.80758e+05   -1.72109e+04   -2.15191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19676e+04   -1.73119e+06    3.49344e+05   -1.38185e+06   -1.35970e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13523e+02   -2.12524e+02    1.14665e+02    4.05105e-06

           Step           Time
        2460000     4920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61210e+03    1.80919e+04    1.24107e+04    1.09157e+03   -2.68356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51467e+03    1.03777e+05    2.78845e+05   -1.71910e+04   -2.15037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22243e+04   -1.73167e+06    3.47628e+05   -1.38404e+06   -1.35964e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11983e+02   -2.12034e+02   -1.25067e+02    4.12117e-06

           Step           Time
        2465000     4930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78996e+03    1.81473e+04    1.22509e+04    1.05564e+03   -2.70335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35893e+03    1.04188e+05    2.82112e+05   -1.71411e+04   -2.15391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21940e+04   -1.73165e+06    3.47471e+05   -1.38418e+06   -1.35958e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11842e+02   -2.10807e+02    1.03229e+01    4.09281e-06

           Step           Time
        2470000     4940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67689e+03    1.83536e+04    1.24755e+04    1.07289e+03   -2.71146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57575e+03    1.03817e+05    2.80056e+05   -1.72038e+04   -2.15122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21554e+04   -1.73095e+06    3.49878e+05   -1.38107e+06   -1.35953e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14002e+02   -2.12350e+02    4.11485e+01    4.12551e-06

           Step           Time
        2475000     4950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51288e+03    1.80606e+04    1.25906e+04    1.15086e+03   -2.85801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55917e+03    1.04547e+05    2.77928e+05   -1.71499e+04   -2.15025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21312e+04   -1.73177e+06    3.49241e+05   -1.38253e+06   -1.35953e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13430e+02   -2.11023e+02   -6.19597e+01    4.17948e-06

           Step           Time
        2480000     4960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74442e+03    1.85613e+04    1.23269e+04    1.07837e+03   -2.83062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59135e+03    1.04257e+05    2.75435e+05   -1.71077e+04   -2.14397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22214e+04   -1.72769e+06    3.50041e+05   -1.37765e+06   -1.35947e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14148e+02   -2.09987e+02   -1.41434e+02    4.20097e-06

           Step           Time
        2485000     4970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45229e+03    1.81247e+04    1.26851e+04    1.02261e+03   -2.73362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47575e+03    1.03865e+05    2.83541e+05   -1.71741e+04   -2.15663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21744e+04   -1.73320e+06    3.47026e+05   -1.38617e+06   -1.35944e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11442e+02   -2.11618e+02    1.27112e+02    4.19542e-06

           Step           Time
        2490000     4980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52438e+03    1.83744e+04    1.24375e+04    1.07766e+03   -2.69543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40257e+03    1.04302e+05    2.78265e+05   -1.71579e+04   -2.14734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22406e+04   -1.72856e+06    3.48812e+05   -1.37975e+06   -1.35938e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13046e+02   -2.11219e+02    1.26986e-01    4.29015e-06

           Step           Time
        2495000     4990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55318e+03    1.81507e+04    1.24668e+04    1.04624e+03   -2.70620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52946e+03    1.04005e+05    2.83131e+05   -1.72020e+04   -2.15469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21167e+04   -1.73160e+06    3.48877e+05   -1.38272e+06   -1.35940e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13103e+02   -2.12304e+02    1.66893e+02    4.03453e-06

           Step           Time
        2500000     5000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55712e+03    1.84854e+04    1.27087e+04    1.09139e+03   -2.87178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41467e+03    1.04454e+05    2.78287e+05   -1.71591e+04   -2.14903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22379e+04   -1.72982e+06    3.48969e+05   -1.38085e+06   -1.35937e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13186e+02   -2.11248e+02   -5.86868e+01    4.05501e-06

           Step           Time
        2505000     5010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75726e+03    1.80004e+04    1.27505e+04    1.12431e+03   -2.81314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55038e+03    1.04285e+05    2.79053e+05   -1.71629e+04   -2.14805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21623e+04   -1.72835e+06    3.48713e+05   -1.37963e+06   -1.35936e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12956e+02   -2.11341e+02    3.61901e+01    4.08078e-06

           Step           Time
        2510000     5020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70258e+03    1.83512e+04    1.24864e+04    1.08024e+03   -2.81694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43758e+03    1.04033e+05    2.78756e+05   -1.71340e+04   -2.14786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20955e+04   -1.72887e+06    3.49573e+05   -1.37929e+06   -1.35934e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13728e+02   -2.10631e+02   -3.21779e+01    3.94169e-06

           Step           Time
        2515000     5030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55803e+03    1.80004e+04    1.24280e+04    1.04546e+03   -2.78410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43668e+03    1.04314e+05    2.79094e+05   -1.71542e+04   -2.15112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20740e+04   -1.73210e+06    3.47726e+05   -1.38438e+06   -1.35927e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12070e+02   -2.11127e+02   -1.71005e+01    3.92974e-06

           Step           Time
        2520000     5040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63604e+03    1.86659e+04    1.25636e+04    1.03376e+03   -2.80379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47817e+03    1.03745e+05    2.80427e+05   -1.71528e+04   -2.15065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21204e+04   -1.72994e+06    3.49454e+05   -1.38049e+06   -1.35925e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13621e+02   -2.11093e+02    3.43623e+01    3.97885e-06

           Step           Time
        2525000     5050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56658e+03    1.83012e+04    1.25738e+04    1.10008e+03   -2.78398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48105e+03    1.04178e+05    2.81245e+05   -1.71949e+04   -2.15203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19935e+04   -1.73057e+06    3.47426e+05   -1.38314e+06   -1.35915e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11801e+02   -2.12129e+02    1.03270e+02    4.08127e-06

           Step           Time
        2530000     5060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66075e+03    1.84140e+04    1.24126e+04    1.07981e+03   -2.79625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61409e+03    1.03493e+05    2.79045e+05   -1.71775e+04   -2.14951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21144e+04   -1.73065e+06    3.46790e+05   -1.38386e+06   -1.35912e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11230e+02   -2.11701e+02    1.31325e+01    4.05746e-06

           Step           Time
        2535000     5070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34074e+03    1.84880e+04    1.26386e+04    1.04912e+03   -2.74729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54392e+03    1.03730e+05    2.75631e+05   -1.71466e+04   -2.14290e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20902e+04   -1.72728e+06    3.49067e+05   -1.37821e+06   -1.35915e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13274e+02   -2.10942e+02   -8.88491e+01    4.02003e-06

           Step           Time
        2540000     5080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75865e+03    1.83715e+04    1.24855e+04    1.09893e+03   -2.94666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53646e+03    1.03556e+05    2.80684e+05   -1.71899e+04   -2.14902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21548e+04   -1.72851e+06    3.48030e+05   -1.38048e+06   -1.35903e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12343e+02   -2.12008e+02    1.13783e+02    4.08353e-06

           Step           Time
        2545000     5090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70557e+03    1.79762e+04    1.26160e+04    1.08159e+03   -2.88597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64001e+03    1.03771e+05    2.81221e+05   -1.71257e+04   -2.14900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23399e+04   -1.72766e+06    3.48989e+05   -1.37867e+06   -1.35904e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13204e+02   -2.10427e+02    6.68036e+01    4.19423e-06

           Step           Time
        2550000     5100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49423e+03    1.85043e+04    1.25245e+04    1.14232e+03   -2.77048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60720e+03    1.03426e+05    2.78466e+05   -1.71763e+04   -2.14659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22659e+04   -1.72811e+06    3.48824e+05   -1.37929e+06   -1.35902e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13056e+02   -2.11672e+02    2.43298e+01    4.30175e-06

           Step           Time
        2555000     5110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65057e+03    1.81093e+04    1.24412e+04    1.10691e+03   -2.84290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50111e+03    1.03876e+05    2.79206e+05   -1.71942e+04   -2.14873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22797e+04   -1.72959e+06    3.48530e+05   -1.38106e+06   -1.35902e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12792e+02   -2.12113e+02    4.81469e+01    4.07537e-06

           Step           Time
        2560000     5120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64209e+03    1.78820e+04    1.26609e+04    1.10860e+03   -2.86620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55364e+03    1.03850e+05    2.79722e+05   -1.71555e+04   -2.14875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20213e+04   -1.72933e+06    3.48727e+05   -1.38060e+06   -1.35897e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12969e+02   -2.11160e+02    7.27815e+01    4.13646e-06

           Step           Time
        2565000     5130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49880e+03    1.84567e+04    1.25575e+04    1.12464e+03   -2.77684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48953e+03    1.04115e+05    2.81322e+05   -1.72118e+04   -2.15311e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20136e+04   -1.73152e+06    3.49885e+05   -1.38163e+06   -1.35888e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14008e+02   -2.12547e+02    9.20479e+01    4.08562e-06

           Step           Time
        2570000     5140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56402e+03    1.84042e+04    1.26217e+04    1.18160e+03   -2.79454e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44947e+03    1.03863e+05    2.79902e+05   -1.71553e+04   -2.14950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21274e+04   -1.72933e+06    3.50925e+05   -1.37841e+06   -1.35887e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14941e+02   -2.11155e+02    4.42856e+01    4.30841e-06

           Step           Time
        2575000     5150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60758e+03    1.84520e+04    1.25950e+04    1.07790e+03   -2.80043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49728e+03    1.03539e+05    2.79174e+05   -1.71466e+04   -2.14802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22767e+04   -1.72874e+06    3.49181e+05   -1.37956e+06   -1.35889e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13376e+02   -2.10941e+02   -1.08770e+01    4.15343e-06

           Step           Time
        2580000     5160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38318e+03    1.84992e+04    1.27217e+04    1.15848e+03   -2.91927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51740e+03    1.04125e+05    2.75985e+05   -1.71243e+04   -2.14663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20264e+04   -1.73026e+06    3.48764e+05   -1.38149e+06   -1.35880e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13002e+02   -2.10394e+02   -1.32700e+02    4.07201e-06

           Step           Time
        2585000     5170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85278e+03    1.83295e+04    1.25881e+04    1.05140e+03   -2.84323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45495e+03    1.04011e+05    2.78629e+05   -1.72049e+04   -2.14761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18900e+04   -1.72885e+06    3.48823e+05   -1.38003e+06   -1.35877e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13055e+02   -2.12375e+02    5.13225e+01    4.35466e-06

           Step           Time
        2590000     5180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75098e+03    1.86877e+04    1.27102e+04    1.20149e+03   -2.77970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44998e+03    1.03530e+05    2.81994e+05   -1.71713e+04   -2.15069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21268e+04   -1.72819e+06    3.49868e+05   -1.37833e+06   -1.35873e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13993e+02   -2.11549e+02    1.26483e+02    4.13355e-06

           Step           Time
        2595000     5190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45453e+03    1.82036e+04    1.24554e+04    1.06223e+03   -2.78945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51444e+03    1.04003e+05    2.79808e+05   -1.71957e+04   -2.15216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20808e+04   -1.73256e+06    3.49886e+05   -1.38268e+06   -1.35872e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14009e+02   -2.12150e+02    3.56893e+01    4.12110e-06

           Step           Time
        2600000     5200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74590e+03    1.84544e+04    1.24695e+04    1.13583e+03   -2.78366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48582e+03    1.03797e+05    2.78426e+05   -1.71785e+04   -2.14439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23273e+04   -1.72551e+06    3.48065e+05   -1.37744e+06   -1.35868e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12375e+02   -2.11726e+02    4.42703e+01    4.18261e-06

           Step           Time
        2605000     5210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67695e+03    1.83135e+04    1.25739e+04    1.20480e+03   -2.82660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41314e+03    1.03299e+05    2.79120e+05   -1.71743e+04   -2.14761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21765e+04   -1.72883e+06    3.47942e+05   -1.38089e+06   -1.35866e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12265e+02   -2.11623e+02    2.13979e+01    3.94981e-06

           Step           Time
        2610000     5220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78915e+03    1.86599e+04    1.25264e+04    1.12538e+03   -2.76703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42635e+03    1.03500e+05    2.78204e+05   -1.71144e+04   -2.14620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20266e+04   -1.72782e+06    3.47901e+05   -1.37992e+06   -1.35860e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12228e+02   -2.10150e+02   -5.65710e+01    4.05545e-06

           Step           Time
        2615000     5230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30029e+03    1.82598e+04    1.27239e+04    1.01082e+03   -2.83464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53140e+03    1.04305e+05    2.78970e+05   -1.71791e+04   -2.14904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19683e+04   -1.72998e+06    3.48840e+05   -1.38114e+06   -1.35863e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13070e+02   -2.11740e+02    1.29110e+01    4.06653e-06

           Step           Time
        2620000     5240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53780e+03    1.83503e+04    1.26291e+04    1.13044e+03   -2.81731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54073e+03    1.04077e+05    2.79314e+05   -1.71428e+04   -2.15087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21424e+04   -1.73111e+06    3.49438e+05   -1.38167e+06   -1.35856e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13607e+02   -2.10848e+02   -3.14834e+01    4.13129e-06

           Step           Time
        2625000     5250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79836e+03    1.79495e+04    1.27082e+04    1.13268e+03   -2.84805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54359e+03    1.04244e+05    2.82365e+05   -1.71842e+04   -2.15207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20954e+04   -1.72926e+06    3.48282e+05   -1.38098e+06   -1.35852e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12569e+02   -2.11867e+02    1.34905e+02    4.13376e-06

           Step           Time
        2630000     5260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50684e+03    1.82899e+04    1.24744e+04    1.07026e+03   -2.82633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66678e+03    1.04617e+05    2.77785e+05   -1.71279e+04   -2.14941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22125e+04   -1.73074e+06    3.49889e+05   -1.38085e+06   -1.35851e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14012e+02   -2.10482e+02   -6.27961e+01    4.04142e-06

           Step           Time
        2635000     5270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54462e+03    1.80300e+04    1.25390e+04    1.13078e+03   -2.83340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.30740e+03    1.03470e+05    2.79872e+05   -1.71978e+04   -2.15206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19251e+04   -1.73327e+06    3.48191e+05   -1.38508e+06   -1.35852e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12488e+02   -2.12201e+02   -1.13135e+01    4.04559e-06

           Step           Time
        2640000     5280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39303e+03    1.80194e+04    1.25128e+04    1.09893e+03   -2.76462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45392e+03    1.04054e+05    2.79245e+05   -1.71486e+04   -2.14965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21626e+04   -1.73062e+06    3.48763e+05   -1.38186e+06   -1.35848e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13001e+02   -2.10990e+02   -1.96709e+01    4.22263e-06

           Step           Time
        2645000     5290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61108e+03    1.82067e+04    1.24327e+04    1.16097e+03   -2.84067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51033e+03    1.03906e+05    2.78217e+05   -1.71551e+04   -2.14826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22481e+04   -1.72996e+06    3.48998e+05   -1.38096e+06   -1.35844e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13212e+02   -2.11151e+02   -2.67797e+01    4.11669e-06

           Step           Time
        2650000     5300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66537e+03    1.83355e+04    1.23111e+04    1.09734e+03   -2.70933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62617e+03    1.03822e+05    2.78877e+05   -1.71320e+04   -2.14683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21565e+04   -1.72778e+06    3.48432e+05   -1.37935e+06   -1.35837e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12704e+02   -2.10582e+02    3.30729e+01    4.18878e-06

           Step           Time
        2655000     5310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53991e+03    1.84405e+04    1.24533e+04    1.09244e+03   -2.70933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68539e+03    1.04056e+05    2.76263e+05   -1.71899e+04   -2.14705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20889e+04   -1.73033e+06    3.48972e+05   -1.38136e+06   -1.35835e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13189e+02   -2.12007e+02   -5.04269e+01    4.00800e-06

           Step           Time
        2660000     5320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58190e+03    1.81314e+04    1.24273e+04    1.07150e+03   -2.68532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48521e+03    1.04464e+05    2.79496e+05   -1.71855e+04   -2.15139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22968e+04   -1.73130e+06    3.47771e+05   -1.38353e+06   -1.35832e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12111e+02   -2.11899e+02   -5.56309e+01    4.05674e-06

           Step           Time
        2665000     5330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58948e+03    1.80313e+04    1.25438e+04    1.12777e+03   -2.75928e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58639e+03    1.03592e+05    2.81892e+05   -1.71739e+04   -2.15350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20954e+04   -1.73197e+06    3.47894e+05   -1.38408e+06   -1.35828e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12221e+02   -2.11612e+02    1.63010e+02    4.00689e-06

           Step           Time
        2670000     5340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67383e+03    1.86793e+04    1.24753e+04    1.03169e+03   -2.73402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50363e+03    1.04018e+05    2.81997e+05   -1.72082e+04   -2.15156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20869e+04   -1.72903e+06    3.50199e+05   -1.37883e+06   -1.35825e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14290e+02   -2.12456e+02    1.77931e+02    4.06516e-06

           Step           Time
        2675000     5350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60180e+03    1.80485e+04    1.24686e+04    1.09161e+03   -2.78706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47071e+03    1.03999e+05    2.78761e+05   -1.71935e+04   -2.14970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20327e+04   -1.73121e+06    3.49413e+05   -1.38180e+06   -1.35824e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13584e+02   -2.12096e+02   -5.66126e+01    4.24409e-06

           Step           Time
        2680000     5360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56292e+03    1.84080e+04    1.24308e+04    1.08304e+03   -2.82243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43508e+03    1.03907e+05    2.80759e+05   -1.71321e+04   -2.15088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20236e+04   -1.73023e+06    3.47484e+05   -1.38274e+06   -1.35814e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11853e+02   -2.10584e+02    1.27783e+01    3.92387e-06

           Step           Time
        2685000     5370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64110e+03    1.84538e+04    1.22703e+04    1.13927e+03   -2.80310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55429e+03    1.04043e+05    2.80692e+05   -1.71881e+04   -2.15021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22468e+04   -1.72916e+06    3.48841e+05   -1.38032e+06   -1.35814e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13071e+02   -2.11963e+02    8.07625e+01    3.97054e-06

           Step           Time
        2690000     5380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75424e+03    1.81899e+04    1.22637e+04    1.02804e+03   -2.65911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42069e+03    1.03243e+05    2.79529e+05   -1.72027e+04   -2.15160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18669e+04   -1.73317e+06    3.47657e+05   -1.38551e+06   -1.35811e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12009e+02   -2.12321e+02   -2.40462e+01    4.03134e-06

           Step           Time
        2695000     5390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69672e+03    1.84071e+04    1.25393e+04    1.11779e+03   -2.79069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41022e+03    1.03366e+05    2.81613e+05   -1.71568e+04   -2.15090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21536e+04   -1.72954e+06    3.50528e+05   -1.37902e+06   -1.35810e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14585e+02   -2.11191e+02    2.61725e+01    4.12580e-06

           Step           Time
        2700000     5400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73853e+03    1.85285e+04    1.24932e+04    1.03384e+03   -2.79342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45052e+03    1.03807e+05    2.79264e+05   -1.71962e+04   -2.15063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21667e+04   -1.73114e+06    3.50955e+05   -1.38019e+06   -1.35807e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14968e+02   -2.12162e+02    5.66753e+01    4.01987e-06

           Step           Time
        2705000     5410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63845e+03    1.85522e+04    1.26449e+04    1.14843e+03   -2.89263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56258e+03    1.04071e+05    2.78573e+05   -1.71513e+04   -2.14789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21462e+04   -1.72860e+06    3.50394e+05   -1.37821e+06   -1.35802e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14465e+02   -2.11056e+02   -8.36165e+00    4.14681e-06

           Step           Time
        2710000     5420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42448e+03    1.84640e+04    1.26508e+04    1.16846e+03   -2.89015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51777e+03    1.03450e+05    2.81443e+05   -1.71745e+04   -2.15028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22162e+04   -1.72901e+06    3.48849e+05   -1.38016e+06   -1.35801e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13078e+02   -2.11627e+02    1.58604e+02    4.18500e-06

           Step           Time
        2715000     5430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56863e+03    1.84647e+04    1.25521e+04    1.07319e+03   -2.93337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49445e+03    1.03510e+05    2.80610e+05   -1.71905e+04   -2.15076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21689e+04   -1.73044e+06    3.47724e+05   -1.38272e+06   -1.35797e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12069e+02   -2.12021e+02    7.03039e+01    4.05993e-06

           Step           Time
        2720000     5440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53470e+03    1.83206e+04    1.25612e+04    1.10768e+03   -2.83658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38498e+03    1.03816e+05    2.77994e+05   -1.71565e+04   -2.14623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21550e+04   -1.72835e+06    3.47828e+05   -1.38052e+06   -1.35794e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12163e+02   -2.11184e+02   -5.16137e+01    4.13323e-06

           Step           Time
        2725000     5450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36870e+03    1.82852e+04    1.24552e+04    1.13906e+03   -2.80795e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51948e+03    1.04193e+05    2.78853e+05   -1.71567e+04   -2.14805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23548e+04   -1.72885e+06    3.48867e+05   -1.37998e+06   -1.35792e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13094e+02   -2.11189e+02    2.67945e+01    4.12175e-06

           Step           Time
        2730000     5460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42457e+03    1.85098e+04    1.25889e+04    1.03326e+03   -2.84455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55190e+03    1.04052e+05    2.79481e+05   -1.71922e+04   -2.14961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20781e+04   -1.72993e+06    3.48318e+05   -1.38161e+06   -1.35791e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12602e+02   -2.12063e+02    4.86098e+01    4.15043e-06

           Step           Time
        2735000     5470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72136e+03    1.79981e+04    1.23710e+04    1.06041e+03   -2.78608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42604e+03    1.04220e+05    2.79369e+05   -1.71788e+04   -2.15121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21746e+04   -1.73184e+06    3.46780e+05   -1.38506e+06   -1.35784e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11222e+02   -2.11734e+02   -1.64146e+01    3.93499e-06

           Step           Time
        2740000     5480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70980e+03    1.82279e+04    1.26560e+04    1.07640e+03   -2.87948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54952e+03    1.03898e+05    2.81306e+05   -1.71696e+04   -2.15167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20487e+04   -1.73024e+06    3.49642e+05   -1.38060e+06   -1.35784e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13790e+02   -2.11507e+02    3.34740e+01    4.06641e-06

           Step           Time
        2745000     5490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77193e+03    1.88574e+04    1.25522e+04    1.13272e+03   -2.97421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42340e+03    1.03986e+05    2.79182e+05   -1.71751e+04   -2.14846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20631e+04   -1.72864e+06    3.49960e+05   -1.37868e+06   -1.35780e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14076e+02   -2.11643e+02   -2.77030e+01    4.08031e-06

           Step           Time
        2750000     5500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81097e+03    1.83362e+04    1.27387e+04    1.13370e+03   -2.89815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45696e+03    1.04348e+05    2.78248e+05   -1.71480e+04   -2.14564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22750e+04   -1.72634e+06    3.49248e+05   -1.37709e+06   -1.35775e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13436e+02   -2.10976e+02   -4.08874e+01    4.21361e-06

           Step           Time
        2755000     5510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48444e+03    1.80183e+04    1.24915e+04    1.13327e+03   -2.87798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57762e+03    1.04508e+05    2.80425e+05   -1.71743e+04   -2.15115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21221e+04   -1.73045e+06    3.48847e+05   -1.38160e+06   -1.35777e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13077e+02   -2.11623e+02    1.13074e+02    4.14531e-06

           Step           Time
        2760000     5520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66473e+03    1.81895e+04    1.24504e+04    1.04365e+03   -2.87802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49251e+03    1.04506e+05    2.80202e+05   -1.71764e+04   -2.15106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21127e+04   -1.73045e+06    3.50617e+05   -1.37983e+06   -1.35774e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14665e+02   -2.11675e+02    4.04832e+01    4.13190e-06

           Step           Time
        2765000     5530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61967e+03    1.86710e+04    1.25730e+04    1.08766e+03   -2.82688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61808e+03    1.03556e+05    2.78164e+05   -1.71410e+04   -2.14643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19543e+04   -1.72816e+06    3.50115e+05   -1.37804e+06   -1.35771e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14214e+02   -2.10803e+02   -2.89658e+01    4.12098e-06

           Step           Time
        2770000     5540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77449e+03    1.83303e+04    1.24652e+04    1.10144e+03   -2.71144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37027e+03    1.03801e+05    2.79741e+05   -1.71752e+04   -2.14893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23058e+04   -1.72893e+06    3.48742e+05   -1.38019e+06   -1.35766e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12982e+02   -2.11643e+02    1.06179e+01    4.14189e-06

           Step           Time
        2775000     5550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26270e+03    1.79173e+04    1.26473e+04    1.05845e+03   -2.84577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55391e+03    1.03995e+05    2.77116e+05   -1.71831e+04   -2.14659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20566e+04   -1.73002e+06    3.48717e+05   -1.38130e+06   -1.35769e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12960e+02   -2.11838e+02   -3.32890e+01    4.05492e-06

           Step           Time
        2780000     5560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70300e+03    1.82421e+04    1.24671e+04    1.08738e+03   -2.83711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52494e+03    1.04228e+05    2.83171e+05   -1.71573e+04   -2.15262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21135e+04   -1.72908e+06    3.49951e+05   -1.37913e+06   -1.35754e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14067e+02   -2.11203e+02    1.67192e+02    4.08414e-06

           Step           Time
        2785000     5570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68429e+03    1.82490e+04    1.23165e+04    9.93663e+02   -2.78018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52670e+03    1.04156e+05    2.79253e+05   -1.71582e+04   -2.14979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19924e+04   -1.73056e+06    3.49862e+05   -1.38070e+06   -1.35759e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13987e+02   -2.11227e+02   -4.54906e+01    4.00027e-06

           Step           Time
        2790000     5580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27713e+03    1.81904e+04    1.24818e+04    1.14307e+03   -2.83882e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49027e+03    1.04156e+05    2.77361e+05   -1.71478e+04   -2.14690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22243e+04   -1.72957e+06    3.47876e+05   -1.38169e+06   -1.35746e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12205e+02   -2.10970e+02   -4.51855e+01    4.07326e-06

           Step           Time
        2795000     5590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56290e+03    1.83348e+04    1.23390e+04    1.09191e+03   -2.88103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40525e+03    1.04454e+05    2.79899e+05   -1.71720e+04   -2.14864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22993e+04   -1.72830e+06    3.46931e+05   -1.38137e+06   -1.35741e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11357e+02   -2.11566e+02    6.31906e+01    3.95575e-06

           Step           Time
        2800000     5600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67036e+03    1.86305e+04    1.24922e+04    1.08130e+03   -2.93582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62684e+03    1.04490e+05    2.79204e+05   -1.71561e+04   -2.14751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22917e+04   -1.72711e+06    3.48710e+05   -1.37840e+06   -1.35736e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12953e+02   -2.11175e+02    5.78099e+01    4.13441e-06

           Step           Time
        2805000     5610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64797e+03    1.83086e+04    1.24519e+04    1.15700e+03   -2.82732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49672e+03    1.03989e+05    2.78511e+05   -1.71818e+04   -2.14823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21082e+04   -1.72957e+06    3.48036e+05   -1.38153e+06   -1.35736e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12348e+02   -2.11806e+02   -2.19577e+01    4.08189e-06

           Step           Time
        2810000     5620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62459e+03    1.83639e+04    1.24147e+04    1.06323e+03   -2.84570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38135e+03    1.04033e+05    2.78489e+05   -1.71575e+04   -2.14995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19805e+04   -1.73160e+06    3.48389e+05   -1.38321e+06   -1.35735e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12666e+02   -2.11210e+02   -8.63227e+01    4.11032e-06

           Step           Time
        2815000     5630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43215e+03    1.82070e+04    1.24652e+04    1.12729e+03   -2.83434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50068e+03    1.03931e+05    2.79696e+05   -1.71876e+04   -2.15240e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20893e+04   -1.73298e+06    3.49105e+05   -1.38387e+06   -1.35730e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13308e+02   -2.11950e+02    8.53483e+00    4.06395e-06

           Step           Time
        2820000     5640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44970e+03    1.86679e+04    1.24137e+04    1.06288e+03   -2.90387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38472e+03    1.04633e+05    2.78428e+05   -1.71515e+04   -2.14599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22172e+04   -1.72678e+06    3.48847e+05   -1.37794e+06   -1.35732e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13077e+02   -2.11061e+02    1.18288e+01    4.32006e-06

           Step           Time
        2825000     5650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42383e+03    1.82923e+04    1.23617e+04    1.15346e+03   -2.83346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56635e+03    1.03935e+05    2.81361e+05   -1.71824e+04   -2.15014e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20861e+04   -1.72898e+06    3.47843e+05   -1.38113e+06   -1.35723e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12176e+02   -2.11821e+02    9.35407e+01    4.16321e-06

           Step           Time
        2830000     5660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40921e+03    1.84724e+04    1.23555e+04    1.06452e+03   -2.74936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60504e+03    1.04506e+05    2.79676e+05   -1.71793e+04   -2.15051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18729e+04   -1.73048e+06    3.47838e+05   -1.38264e+06   -1.35721e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12171e+02   -2.11746e+02    3.59238e+00    4.02746e-06

           Step           Time
        2835000     5670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60923e+03    1.85127e+04    1.25395e+04    1.19733e+03   -2.98846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59115e+03    1.04085e+05    2.78263e+05   -1.71394e+04   -2.14299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20356e+04   -1.72428e+06    3.48010e+05   -1.37627e+06   -1.35717e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12326e+02   -2.10763e+02    6.17373e+01    4.12577e-06

           Step           Time
        2840000     5680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57049e+03    1.80151e+04    1.23572e+04    1.08187e+03   -2.75775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44280e+03    1.04207e+05    2.79408e+05   -1.71694e+04   -2.15028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21000e+04   -1.73103e+06    3.49198e+05   -1.38183e+06   -1.35711e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13392e+02   -2.11503e+02   -3.15610e+01    4.08018e-06

           Step           Time
        2845000     5690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69329e+03    1.83075e+04    1.23461e+04    1.14150e+03   -2.81672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45837e+03    1.04078e+05    2.81395e+05   -1.71571e+04   -2.15224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21289e+04   -1.73067e+06    3.49602e+05   -1.38107e+06   -1.35710e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13754e+02   -2.11200e+02    7.37883e+01    4.08619e-06

           Step           Time
        2850000     5700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21071e+03    1.82035e+04    1.24947e+04    1.10540e+03   -2.84844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52071e+03    1.03954e+05    2.79345e+05   -1.71601e+04   -2.15206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23009e+04   -1.73293e+06    3.48689e+05   -1.38425e+06   -1.35710e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12935e+02   -2.11274e+02   -1.89404e+00    4.24180e-06

           Step           Time
        2855000     5710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51206e+03    1.80764e+04    1.24837e+04    1.03376e+03   -2.87161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49017e+03    1.04268e+05    2.79408e+05   -1.71395e+04   -2.15141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20903e+04   -1.73206e+06    3.47849e+05   -1.38421e+06   -1.35705e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12181e+02   -2.10768e+02   -9.83372e+01    4.13428e-06

           Step           Time
        2860000     5720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60332e+03    1.78843e+04    1.24703e+04    1.00931e+03   -2.87122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41933e+03    1.03981e+05    2.79385e+05   -1.71899e+04   -2.15156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22439e+04   -1.73263e+06    3.49764e+05   -1.38286e+06   -1.35706e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13899e+02   -2.12006e+02   -5.20575e+01    3.96948e-06

           Step           Time
        2865000     5730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53446e+03    1.84434e+04    1.26588e+04    1.09194e+03   -2.85599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45139e+03    1.03936e+05    2.80876e+05   -1.71560e+04   -2.15066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21977e+04   -1.72949e+06    3.49871e+05   -1.37962e+06   -1.35701e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13995e+02   -2.11173e+02    6.27976e+01    4.04081e-06

           Step           Time
        2870000     5740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52197e+03    1.84627e+04    1.25847e+04    1.13629e+03   -2.91257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47206e+03    1.03953e+05    2.78033e+05   -1.71449e+04   -2.14647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20321e+04   -1.72833e+06    3.48923e+05   -1.37941e+06   -1.35691e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13145e+02   -2.10899e+02   -7.23617e+01    4.07193e-06

           Step           Time
        2875000     5750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57008e+03    1.85657e+04    1.23771e+04    1.03049e+03   -2.86355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44154e+03    1.03410e+05    2.79793e+05   -1.71835e+04   -2.14986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19125e+04   -1.73081e+06    3.48525e+05   -1.38228e+06   -1.35696e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12788e+02   -2.11850e+02    5.01511e+00    4.05210e-06

           Step           Time
        2880000     5760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53774e+03    1.86662e+04    1.25194e+04    1.03077e+03   -2.89197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50519e+03    1.03851e+05    2.78563e+05   -1.71240e+04   -2.14614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21805e+04   -1.72730e+06    3.49509e+05   -1.37779e+06   -1.35689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13671e+02   -2.10385e+02    1.61666e+01    3.99755e-06

           Step           Time
        2885000     5770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41815e+03    1.79390e+04    1.25080e+04    1.13116e+03   -2.92115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60537e+03    1.04325e+05    2.80608e+05   -1.71714e+04   -2.15119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20736e+04   -1.73067e+06    3.48840e+05   -1.38183e+06   -1.35685e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13070e+02   -2.11550e+02    9.64582e+00    4.10937e-06

           Step           Time
        2890000     5780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47754e+03    1.79970e+04    1.25287e+04    1.08204e+03   -2.82493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45334e+03    1.04367e+05    2.79737e+05   -1.71837e+04   -2.15282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20472e+04   -1.73314e+06    3.47885e+05   -1.38526e+06   -1.35680e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12213e+02   -2.11854e+02   -8.19126e+00    4.01592e-06

           Step           Time
        2895000     5790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74518e+03    1.85584e+04    1.26446e+04    1.12681e+03   -2.80421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41710e+03    1.03827e+05    2.81403e+05   -1.71721e+04   -2.15135e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20830e+04   -1.72952e+06    3.50451e+05   -1.37907e+06   -1.35679e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14516e+02   -2.11569e+02    6.55527e+01    4.32066e-06

           Step           Time
        2900000     5800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74189e+03    1.83069e+04    1.25209e+04    1.08210e+03   -2.75538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53291e+03    1.04311e+05    2.78741e+05   -1.71971e+04   -2.15010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21720e+04   -1.73064e+06    3.47439e+05   -1.38321e+06   -1.35673e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11813e+02   -2.12183e+02    2.27625e+01    4.28655e-06

           Step           Time
        2905000     5810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53396e+03    1.84449e+04    1.24698e+04    1.09174e+03   -2.76121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50164e+03    1.03604e+05    2.79459e+05   -1.71746e+04   -2.14713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19854e+04   -1.72798e+06    3.48567e+05   -1.37941e+06   -1.35675e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12825e+02   -2.11629e+02    4.97620e+01    4.14626e-06

           Step           Time
        2910000     5820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69021e+03    1.83708e+04    1.26007e+04    1.12298e+03   -2.70841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57293e+03    1.03981e+05    2.78686e+05   -1.71412e+04   -2.14817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23289e+04   -1.72867e+06    3.50047e+05   -1.37862e+06   -1.35669e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14154e+02   -2.10809e+02   -2.31198e+01    4.00468e-06

           Step           Time
        2915000     5830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57621e+03    1.82723e+04    1.24394e+04    1.09555e+03   -2.76181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56710e+03    1.04641e+05    2.79003e+05   -1.71351e+04   -2.14884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21678e+04   -1.72898e+06    3.48875e+05   -1.38010e+06   -1.35664e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13102e+02   -2.10658e+02   -7.00197e+01    4.11174e-06

           Step           Time
        2920000     5840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48512e+03    1.84253e+04    1.25364e+04    1.18615e+03   -2.84272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40976e+03    1.04007e+05    2.79355e+05   -1.72338e+04   -2.15158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21003e+04   -1.73215e+06    3.48090e+05   -1.38406e+06   -1.35662e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12397e+02   -2.13088e+02   -1.23640e+01    4.28762e-06

           Step           Time
        2925000     5850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59258e+03    1.77573e+04    1.25516e+04    1.03823e+03   -2.78560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44855e+03    1.04613e+05    2.75007e+05   -1.71206e+04   -2.14518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22161e+04   -1.72986e+06    3.48699e+05   -1.38116e+06   -1.35662e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12944e+02   -2.10304e+02   -2.33628e+02    4.13276e-06

           Step           Time
        2930000     5860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58105e+03    1.84554e+04    1.24131e+04    1.11428e+03   -2.90841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45370e+03    1.04412e+05    2.77131e+05   -1.71397e+04   -2.14640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22361e+04   -1.72865e+06    3.48516e+05   -1.38014e+06   -1.35658e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12780e+02   -2.10772e+02   -8.49029e+01    4.22475e-06

           Step           Time
        2935000     5870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48281e+03    1.83668e+04    1.24570e+04    1.16073e+03   -2.81367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45755e+03    1.04256e+05    2.77428e+05   -1.71497e+04   -2.14840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21491e+04   -1.73060e+06    3.49851e+05   -1.38075e+06   -1.35657e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13977e+02   -2.11018e+02   -9.40694e+01    4.04246e-06

           Step           Time
        2940000     5880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53306e+03    1.80001e+04    1.23680e+04    1.01359e+03   -2.74501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48468e+03    1.04490e+05    2.82178e+05   -1.71691e+04   -2.15471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21993e+04   -1.73236e+06    3.48860e+05   -1.38350e+06   -1.35649e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13089e+02   -2.11495e+02    1.10295e+02    4.11447e-06

           Step           Time
        2945000     5890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36735e+03    1.81165e+04    1.23695e+04    1.09737e+03   -2.90838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56173e+03    1.04315e+05    2.79162e+05   -1.72028e+04   -2.14936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19646e+04   -1.73052e+06    3.49106e+05   -1.38142e+06   -1.35649e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13309e+02   -2.12325e+02    6.29903e+01    4.09743e-06

           Step           Time
        2950000     5900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38224e+03    1.85832e+04    1.25312e+04    1.16878e+03   -2.80748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61486e+03    1.04302e+05    2.77421e+05   -1.71594e+04   -2.14586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22195e+04   -1.72760e+06    3.47379e+05   -1.38022e+06   -1.35641e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11759e+02   -2.11255e+02    6.25191e+00    4.18949e-06

           Step           Time
        2955000     5910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26871e+03    1.85566e+04    1.25132e+04    1.01929e+03   -2.84704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46478e+03    1.04025e+05    2.78527e+05   -1.71578e+04   -2.14815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24381e+04   -1.72934e+06    3.47776e+05   -1.38157e+06   -1.35636e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12115e+02   -2.11217e+02   -1.65340e+01    4.21434e-06

           Step           Time
        2960000     5920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44542e+03    1.83043e+04    1.25286e+04    1.12684e+03   -2.87596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50419e+03    1.04501e+05    2.79187e+05   -1.71706e+04   -2.14945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21255e+04   -1.72978e+06    3.50200e+05   -1.37958e+06   -1.35635e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14291e+02   -2.11531e+02   -5.78689e+01    4.17051e-06

Writing checkpoint, step 2964400 at Thu Dec  7 05:57:56 2023


           Step           Time
        2965000     5930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77424e+03    1.81605e+04    1.25724e+04    1.19365e+03   -2.87572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49929e+03    1.04216e+05    2.80900e+05   -1.71628e+04   -2.15148e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21077e+04   -1.73009e+06    3.47656e+05   -1.38243e+06   -1.35628e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12007e+02   -2.11339e+02    4.76141e+01    3.99040e-06

           Step           Time
        2970000     5940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37054e+03    1.81070e+04    1.26047e+04    1.03534e+03   -2.86802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61143e+03    1.04710e+05    2.78799e+05   -1.71675e+04   -2.15032e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21503e+04   -1.73097e+06    3.47844e+05   -1.38313e+06   -1.35631e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12176e+02   -2.11456e+02    3.88993e+01    4.13904e-06

           Step           Time
        2975000     5950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80143e+03    1.86456e+04    1.23709e+04    1.04960e+03   -2.73294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45180e+03    1.03798e+05    2.78329e+05   -1.71793e+04   -2.14637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20973e+04   -1.72774e+06    3.48403e+05   -1.37934e+06   -1.35620e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12678e+02   -2.11745e+02    5.05201e+00    4.09976e-06

           Step           Time
        2980000     5960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59016e+03    1.82387e+04    1.24310e+04    1.14387e+03   -2.74080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51766e+03    1.03642e+05    2.80498e+05   -1.71634e+04   -2.14945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19742e+04   -1.72932e+06    3.48810e+05   -1.38051e+06   -1.35623e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13044e+02   -2.11354e+02    4.22341e+01    4.02025e-06

           Step           Time
        2985000     5970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31722e+03    1.84014e+04    1.22206e+04    1.01648e+03   -2.76707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58094e+03    1.04346e+05    2.79095e+05   -1.71565e+04   -2.14757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22184e+04   -1.72830e+06    3.48705e+05   -1.37959e+06   -1.35614e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12949e+02   -2.11185e+02    4.12425e+01    4.21469e-06

           Step           Time
        2990000     5980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46328e+03    1.84218e+04    1.24409e+04    9.74693e+02   -2.75827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45274e+03    1.04238e+05    2.78891e+05   -1.71443e+04   -2.14898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19875e+04   -1.73002e+06    3.48919e+05   -1.38110e+06   -1.35610e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13141e+02   -2.10884e+02   -5.92442e+01    4.07504e-06

           Step           Time
        2995000     5990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37045e+03    1.84661e+04    1.24301e+04    1.09190e+03   -2.80910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31354e+03    1.03844e+05    2.79915e+05   -1.71566e+04   -2.14892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21712e+04   -1.72928e+06    3.47310e+05   -1.38197e+06   -1.35609e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11697e+02   -2.11188e+02   -1.45680e+01    4.11556e-06

           Step           Time
        3000000     6000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59323e+03    1.85674e+04    1.25871e+04    1.08780e+03   -2.87904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41111e+03    1.03476e+05    2.79940e+05   -1.71585e+04   -2.15099e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22155e+04   -1.73115e+06    3.48937e+05   -1.38222e+06   -1.35605e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13157e+02   -2.11234e+02   -5.59095e+00    4.03161e-06

           Step           Time
        3005000     6010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47951e+03    1.83572e+04    1.22654e+04    1.15884e+03   -2.80722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39828e+03    1.04182e+05    2.82562e+05   -1.71849e+04   -2.15258e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21674e+04   -1.73000e+06    3.48644e+05   -1.38136e+06   -1.35601e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12895e+02   -2.11883e+02    1.04456e+02    4.34862e-06

           Step           Time
        3010000     6020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54021e+03    1.83787e+04    1.23496e+04    1.04443e+03   -2.90658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54589e+03    1.03707e+05    2.80090e+05   -1.71878e+04   -2.15242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21483e+04   -1.73271e+06    3.48115e+05   -1.38460e+06   -1.35600e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12420e+02   -2.11954e+02    6.29909e+01    4.17391e-06

           Step           Time
        3015000     6030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56844e+03    1.86092e+04    1.25173e+04    1.11046e+03   -2.91513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50044e+03    1.03856e+05    2.80837e+05   -1.71594e+04   -2.15210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23150e+04   -1.73086e+06    3.47268e+05   -1.38359e+06   -1.35592e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11659e+02   -2.11257e+02    4.45634e+01    4.10189e-06

           Step           Time
        3020000     6040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86726e+03    1.83697e+04    1.25628e+04    1.14868e+03   -2.79893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49572e+03    1.04089e+05    2.82038e+05   -1.71868e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21431e+04   -1.72965e+06    3.49394e+05   -1.38025e+06   -1.35588e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13568e+02   -2.11929e+02    8.49294e+01    4.07874e-06

           Step           Time
        3025000     6050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69064e+03    1.80346e+04    1.24378e+04    1.09134e+03   -2.83330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39451e+03    1.04025e+05    2.78245e+05   -1.71637e+04   -2.14647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22981e+04   -1.72825e+06    3.48238e+05   -1.38001e+06   -1.35588e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12530e+02   -2.11362e+02   -1.75929e+01    4.20165e-06

           Step           Time
        3030000     6060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41042e+03    1.82588e+04    1.24580e+04    1.09554e+03   -2.89487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58645e+03    1.04317e+05    2.78579e+05   -1.72005e+04   -2.14812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21498e+04   -1.72936e+06    3.48885e+05   -1.38048e+06   -1.35588e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13110e+02   -2.12268e+02    6.09989e+01    4.24414e-06

           Step           Time
        3035000     6070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61793e+03    1.83298e+04    1.25379e+04    1.10881e+03   -2.78109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38775e+03    1.04081e+05    2.77316e+05   -1.71624e+04   -2.14431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22577e+04   -1.72662e+06    3.48862e+05   -1.37776e+06   -1.35583e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13090e+02   -2.11330e+02   -3.85004e+01    4.32076e-06

           Step           Time
        3040000     6080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32379e+03    1.84192e+04    1.25775e+04    1.13940e+03   -2.81318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51712e+03    1.04350e+05    2.79690e+05   -1.72301e+04   -2.15063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22195e+04   -1.73044e+06    3.50572e+05   -1.37986e+06   -1.35581e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14625e+02   -2.12999e+02    1.41237e+02    3.99954e-06

           Step           Time
        3045000     6090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46277e+03    1.83112e+04    1.25143e+04    1.08468e+03   -2.79844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44045e+03    1.04052e+05    2.78148e+05   -1.71573e+04   -2.14643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21947e+04   -1.72818e+06    3.47182e+05   -1.38100e+06   -1.35578e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11582e+02   -2.11204e+02   -5.09873e+01    4.19609e-06

           Step           Time
        3050000     6100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65954e+03    1.83526e+04    1.25150e+04    1.04845e+03   -2.86193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61643e+03    1.03797e+05    2.78844e+05   -1.71829e+04   -2.14998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20185e+04   -1.73117e+06    3.48878e+05   -1.38230e+06   -1.35576e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13104e+02   -2.11834e+02    1.64253e+00    4.14398e-06

           Step           Time
        3055000     6110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46000e+03    1.80440e+04    1.27258e+04    1.04214e+03   -2.87870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54391e+03    1.04065e+05    2.80548e+05   -1.72205e+04   -2.15266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21797e+04   -1.73215e+06    3.47730e+05   -1.38442e+06   -1.35572e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12074e+02   -2.12761e+02    1.28795e+02    3.95955e-06

           Step           Time
        3060000     6120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39397e+03    1.86120e+04    1.24982e+04    1.10556e+03   -2.86824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45558e+03    1.04192e+05    2.81212e+05   -1.71680e+04   -2.15158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22570e+04   -1.72989e+06    3.49114e+05   -1.38078e+06   -1.35569e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13316e+02   -2.11467e+02    1.00205e+02    4.07236e-06

           Step           Time
        3065000     6130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62693e+03    1.81208e+04    1.23342e+04    1.11652e+03   -2.85879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32666e+03    1.04020e+05    2.78390e+05   -1.71740e+04   -2.14838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21405e+04   -1.73034e+06    3.49374e+05   -1.38096e+06   -1.35569e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13550e+02   -2.11616e+02   -6.94499e+01    4.10848e-06

           Step           Time
        3070000     6140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49186e+03    1.84839e+04    1.26238e+04    1.05621e+03   -2.80293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47329e+03    1.03910e+05    2.79648e+05   -1.71370e+04   -2.14841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21360e+04   -1.72853e+06    3.48849e+05   -1.37968e+06   -1.35562e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13078e+02   -2.10705e+02   -2.99728e+01    4.00986e-06

           Step           Time
        3075000     6150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31550e+03    1.81415e+04    1.23580e+04    1.08005e+03   -2.86432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52003e+03    1.04217e+05    2.79688e+05   -1.71534e+04   -2.15180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20256e+04   -1.73247e+06    3.48711e+05   -1.38376e+06   -1.35560e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12954e+02   -2.11108e+02    8.49335e+00    4.07213e-06

           Step           Time
        3080000     6160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60587e+03    1.84110e+04    1.25133e+04    1.03272e+03   -2.82767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47893e+03    1.03796e+05    2.79917e+05   -1.71520e+04   -2.15032e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21339e+04   -1.73042e+06    3.46857e+05   -1.38356e+06   -1.35556e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11290e+02   -2.11073e+02    5.51290e+01    4.07014e-06

           Step           Time
        3085000     6170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29799e+03    1.85748e+04    1.26986e+04    1.09372e+03   -2.94364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63788e+03    1.03919e+05    2.77037e+05   -1.71624e+04   -2.14653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19335e+04   -1.72945e+06    3.47367e+05   -1.38208e+06   -1.35550e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11749e+02   -2.11330e+02   -2.05419e+01    3.91784e-06

           Step           Time
        3090000     6180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60471e+03    1.82779e+04    1.23810e+04    1.11318e+03   -2.92214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50341e+03    1.03792e+05    2.78702e+05   -1.71775e+04   -2.14898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20995e+04   -1.73061e+06    3.49497e+05   -1.38111e+06   -1.35548e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13660e+02   -2.11701e+02   -1.27072e+01    4.13743e-06

           Step           Time
        3095000     6190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51305e+03    1.87946e+04    1.25483e+04    1.10931e+03   -2.99908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42298e+03    1.03568e+05    2.77562e+05   -1.72031e+04   -2.14652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22176e+04   -1.72899e+06    3.49692e+05   -1.37930e+06   -1.35545e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13835e+02   -2.12331e+02   -1.91509e+01    4.19344e-06

           Step           Time
        3100000     6200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86764e+03    1.82420e+04    1.24341e+04    1.07160e+03   -2.87252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51066e+03    1.03351e+05    2.79784e+05   -1.71888e+04   -2.14989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19751e+04   -1.73072e+06    3.47011e+05   -1.38371e+06   -1.35543e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11428e+02   -2.11979e+02    3.80996e+01    4.13660e-06

           Step           Time
        3105000     6210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48526e+03    1.82933e+04    1.24427e+04    1.03066e+03   -2.79912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51822e+03    1.03853e+05    2.78763e+05   -1.72013e+04   -2.14817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20420e+04   -1.72974e+06    3.47110e+05   -1.38263e+06   -1.35540e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11518e+02   -2.12288e+02    3.54354e+01    4.17028e-06

           Step           Time
        3110000     6220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34898e+03    1.85865e+04    1.22590e+04    1.03207e+03   -2.71579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63871e+03    1.04171e+05    2.78765e+05   -1.71340e+04   -2.14892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20113e+04   -1.72995e+06    3.48890e+05   -1.38106e+06   -1.35540e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13115e+02   -2.10632e+02   -4.43709e+00    4.09661e-06

           Step           Time
        3115000     6230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60617e+03    1.83894e+04    1.23991e+04    1.03791e+03   -2.82541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43927e+03    1.04053e+05    2.78522e+05   -1.71877e+04   -2.14887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22705e+04   -1.73017e+06    3.49328e+05   -1.38084e+06   -1.35538e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13508e+02   -2.11953e+02   -4.21414e+01    4.19999e-06

           Step           Time
        3120000     6240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57988e+03    1.84082e+04    1.22822e+04    1.10070e+03   -2.79946e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46036e+03    1.03902e+05    2.77785e+05   -1.71300e+04   -2.14639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20688e+04   -1.72874e+06    3.47695e+05   -1.38104e+06   -1.35535e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12043e+02   -2.10534e+02   -8.09097e+01    4.01891e-06

           Step           Time
        3125000     6250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76638e+03    1.80934e+04    1.25611e+04    1.14224e+03   -2.80444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50008e+03    1.03686e+05    2.81939e+05   -1.71086e+04   -2.15102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21475e+04   -1.72910e+06    3.47407e+05   -1.38169e+06   -1.35527e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11784e+02   -2.10009e+02    2.97146e+01    4.07450e-06

           Step           Time
        3130000     6260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55545e+03    1.82158e+04    1.24693e+04    1.07022e+03   -2.71017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58425e+03    1.04344e+05    2.79214e+05   -1.71496e+04   -2.14997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20654e+04   -1.73031e+06    3.49773e+05   -1.38054e+06   -1.35527e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13907e+02   -2.11015e+02   -1.77136e+01    4.10636e-06

           Step           Time
        3135000     6270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81764e+03    1.87476e+04    1.24856e+04    1.16393e+03   -2.87256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49200e+03    1.03917e+05    2.77687e+05   -1.72058e+04   -2.14773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21483e+04   -1.72935e+06    3.48819e+05   -1.38054e+06   -1.35516e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13052e+02   -2.12398e+02   -9.23180e+00    4.12650e-06

           Step           Time
        3140000     6280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42343e+03    1.83288e+04    1.25172e+04    1.09808e+03   -2.81782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58220e+03    1.04173e+05    2.79022e+05   -1.72179e+04   -2.15139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20978e+04   -1.73219e+06    3.49503e+05   -1.38269e+06   -1.35520e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13665e+02   -2.12697e+02    7.59546e+01    4.04676e-06

           Step           Time
        3145000     6290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64272e+03    1.84193e+04    1.26449e+04    1.12724e+03   -2.73405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59041e+03    1.03724e+05    2.81150e+05   -1.71823e+04   -2.15065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24048e+04   -1.72887e+06    3.47461e+05   -1.38141e+06   -1.35509e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11833e+02   -2.11818e+02    1.26152e+02    4.04377e-06

           Step           Time
        3150000     6300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78229e+03    1.86693e+04    1.23950e+04    1.02291e+03   -2.79569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47695e+03    1.03973e+05    2.78094e+05   -1.71548e+04   -2.14575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21485e+04   -1.72714e+06    3.49611e+05   -1.37753e+06   -1.35512e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13762e+02   -2.11143e+02   -4.32108e+01    4.03421e-06

           Step           Time
        3155000     6310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32470e+03    1.88613e+04    1.26103e+04    1.13085e+03   -2.92612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47545e+03    1.04000e+05    2.78151e+05   -1.71162e+04   -2.14522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21382e+04   -1.72657e+06    3.48505e+05   -1.37806e+06   -1.35509e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12770e+02   -2.10195e+02    1.64456e+01    4.16241e-06

           Step           Time
        3160000     6320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49211e+03    1.85647e+04    1.24529e+04    1.02307e+03   -2.72082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49866e+03    1.04153e+05    2.77801e+05   -1.71762e+04   -2.14768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20623e+04   -1.72953e+06    3.49634e+05   -1.37990e+06   -1.35504e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13783e+02   -2.11669e+02   -7.80700e+01    4.17265e-06

           Step           Time
        3165000     6330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70939e+03    1.86133e+04    1.25488e+04    1.04318e+03   -2.67384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47255e+03    1.04364e+05    2.76811e+05   -1.71315e+04   -2.14447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20655e+04   -1.72665e+06    3.50193e+05   -1.37646e+06   -1.35495e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14285e+02   -2.10569e+02   -1.23798e+02    4.16839e-06

           Step           Time
        3170000     6340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52663e+03    1.86063e+04    1.24445e+04    1.06556e+03   -2.77083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32532e+03    1.04354e+05    2.79831e+05   -1.71587e+04   -2.15160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22409e+04   -1.73114e+06    3.48204e+05   -1.38293e+06   -1.35495e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12500e+02   -2.11239e+02    3.61590e+01    4.17123e-06

           Step           Time
        3175000     6350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58145e+03    1.80596e+04    1.25424e+04    9.74350e+02   -2.76167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52274e+03    1.04622e+05    2.79161e+05   -1.71699e+04   -2.15039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20754e+04   -1.73078e+06    3.47712e+05   -1.38307e+06   -1.35494e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12058e+02   -2.11514e+02    3.91217e+00    4.07234e-06

           Step           Time
        3180000     6360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45951e+03    1.83250e+04    1.24573e+04    1.09097e+03   -2.80968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40596e+03    1.04123e+05    2.80727e+05   -1.71779e+04   -2.15068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21613e+04   -1.72992e+06    3.47286e+05   -1.38264e+06   -1.35492e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11676e+02   -2.11712e+02    2.55383e+01    4.05652e-06

           Step           Time
        3185000     6370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67549e+03    1.82700e+04    1.24459e+04    1.10212e+03   -2.88015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61286e+03    1.03881e+05    2.78497e+05   -1.71890e+04   -2.14835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21538e+04   -1.72978e+06    3.49256e+05   -1.38052e+06   -1.35487e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13443e+02   -2.11984e+02    3.81739e+01    3.99752e-06

           Step           Time
        3190000     6380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64565e+03    1.85957e+04    1.23707e+04    1.08171e+03   -2.75073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53096e+03    1.04238e+05    2.79947e+05   -1.71389e+04   -2.14818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21221e+04   -1.72754e+06    3.48820e+05   -1.37872e+06   -1.35482e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13052e+02   -2.10752e+02    9.66282e+01    3.86851e-06

           Step           Time
        3195000     6390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68689e+03    1.85416e+04    1.26633e+04    1.06579e+03   -2.91129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48389e+03    1.04088e+05    2.81421e+05   -1.71969e+04   -2.15253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20742e+04   -1.73062e+06    3.49928e+05   -1.38069e+06   -1.35480e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14047e+02   -2.12180e+02    9.34885e+01    4.19259e-06

           Step           Time
        3200000     6400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51273e+03    1.86285e+04    1.24179e+04    1.05020e+03   -2.80458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39816e+03    1.04281e+05    2.77805e+05   -1.71655e+04   -2.14795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21584e+04   -1.72967e+06    3.49213e+05   -1.38046e+06   -1.35477e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13405e+02   -2.11406e+02   -1.19952e+02    4.00336e-06

           Step           Time
        3205000     6410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64759e+03    1.81842e+04    1.26287e+04    1.11364e+03   -2.79746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45516e+03    1.04081e+05    2.80659e+05   -1.72228e+04   -2.15150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22616e+04   -1.73049e+06    3.48787e+05   -1.38170e+06   -1.35474e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13022e+02   -2.12819e+02    5.85210e+01    3.91635e-06

           Step           Time
        3210000     6420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55027e+03    1.80948e+04    1.22904e+04    1.04047e+03   -2.87320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56573e+03    1.03924e+05    2.79575e+05   -1.71682e+04   -2.15138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20169e+04   -1.73236e+06    3.47948e+05   -1.38442e+06   -1.35474e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12270e+02   -2.11471e+02   -4.03265e+01    4.01669e-06

           Step           Time
        3215000     6430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30459e+03    1.82803e+04    1.25290e+04    1.08229e+03   -2.69309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53484e+03    1.04039e+05    2.81105e+05   -1.72244e+04   -2.15147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20381e+04   -1.73048e+06    3.49393e+05   -1.38108e+06   -1.35470e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13566e+02   -2.12858e+02    1.31980e+02    4.10865e-06

           Step           Time
        3220000     6440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51828e+03    1.87518e+04    1.25211e+04    1.17250e+03   -2.87908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49975e+03    1.04052e+05    2.76772e+05   -1.71341e+04   -2.14316e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22011e+04   -1.72569e+06    3.48897e+05   -1.37679e+06   -1.35463e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13121e+02   -2.10634e+02   -9.09848e+00    4.04759e-06

           Step           Time
        3225000     6450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38975e+03    1.85601e+04    1.25887e+04    1.05568e+03   -2.75118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46955e+03    1.03780e+05    2.79073e+05   -1.71149e+04   -2.14634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21848e+04   -1.72711e+06    3.50282e+05   -1.37682e+06   -1.35463e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14364e+02   -2.10163e+02   -1.73184e+01    4.09666e-06

           Step           Time
        3230000     6460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37153e+03    1.82377e+04    1.24175e+04    1.08368e+03   -2.81662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57294e+03    1.03732e+05    2.79358e+05   -1.71340e+04   -2.15023e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20770e+04   -1.73133e+06    3.46692e+05   -1.38463e+06   -1.35461e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11143e+02   -2.10631e+02   -7.15918e+00    4.09138e-06

           Step           Time
        3235000     6470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66218e+03    1.81069e+04    1.22992e+04    1.06931e+03   -2.74040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42529e+03    1.04199e+05    2.80079e+05   -1.71314e+04   -2.15066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22134e+04   -1.73048e+06    3.47977e+05   -1.38250e+06   -1.35456e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12295e+02   -2.10568e+02   -4.93621e+01    4.05298e-06

           Step           Time
        3240000     6480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55539e+03    1.83304e+04    1.25470e+04    1.12524e+03   -2.79764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47878e+03    1.04278e+05    2.81082e+05   -1.71901e+04   -2.15173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22918e+04   -1.73003e+06    3.48370e+05   -1.38166e+06   -1.35451e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12648e+02   -2.12011e+02    2.96690e+01    3.98025e-06

           Step           Time
        3245000     6490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54322e+03    1.85098e+04    1.26392e+04    1.06364e+03   -2.82558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49056e+03    1.03278e+05    2.79386e+05   -1.71715e+04   -2.14822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22282e+04   -1.72908e+06    3.47826e+05   -1.38125e+06   -1.35448e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12160e+02   -2.11554e+02    3.01558e+01    3.99334e-06

           Step           Time
        3250000     6500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51508e+03    1.81481e+04    1.24745e+04    1.17812e+03   -2.85239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42842e+03    1.03778e+05    2.80222e+05   -1.71586e+04   -2.15087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20070e+04   -1.73113e+06    3.48152e+05   -1.38298e+06   -1.35446e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12452e+02   -2.11237e+02    2.30240e+01    4.01578e-06

           Step           Time
        3255000     6510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.13240e+03    1.82376e+04    1.25659e+04    1.10509e+03   -2.91425e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47638e+03    1.04030e+05    2.80503e+05   -1.71636e+04   -2.15043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20336e+04   -1.73043e+06    3.46264e+05   -1.38416e+06   -1.35443e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10758e+02   -2.11360e+02    1.21066e+02    4.08713e-06

           Step           Time
        3260000     6520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50041e+03    1.82833e+04    1.26181e+04    1.00954e+03   -2.85578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53756e+03    1.03414e+05    2.81025e+05   -1.71146e+04   -2.15202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22652e+04   -1.73133e+06    3.46980e+05   -1.38435e+06   -1.35443e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11401e+02   -2.10156e+02    1.04372e+01    4.05692e-06

           Step           Time
        3265000     6530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66225e+03    1.89339e+04    1.25462e+04    1.22996e+03   -2.92346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42842e+03    1.03593e+05    2.78579e+05   -1.71776e+04   -2.14724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20313e+04   -1.72834e+06    3.49921e+05   -1.37841e+06   -1.35438e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14040e+02   -2.11704e+02   -6.96105e+01    4.04686e-06

           Step           Time
        3270000     6540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32293e+03    1.83463e+04    1.26092e+04    1.12843e+03   -2.76950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40456e+03    1.03758e+05    2.77333e+05   -1.71932e+04   -2.14741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21683e+04   -1.73031e+06    3.48377e+05   -1.38193e+06   -1.35438e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12655e+02   -2.12087e+02   -2.69526e+01    3.93375e-06

           Step           Time
        3275000     6550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61407e+03    1.79616e+04    1.24183e+04    1.08241e+03   -2.78315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60132e+03    1.04074e+05    2.77999e+05   -1.72213e+04   -2.15075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19610e+04   -1.73304e+06    3.48779e+05   -1.38426e+06   -1.35434e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13015e+02   -2.12781e+02    1.46886e+00    3.91983e-06

           Step           Time
        3280000     6560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37713e+03    1.80740e+04    1.23895e+04    1.07867e+03   -2.88268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47363e+03    1.04038e+05    2.78572e+05   -1.71500e+04   -2.14950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21275e+04   -1.73140e+06    3.46995e+05   -1.38441e+06   -1.35431e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11415e+02   -2.11025e+02   -5.17701e+01    4.04172e-06

           Step           Time
        3285000     6570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57123e+03    1.83581e+04    1.23644e+04    1.05145e+03   -2.75021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34330e+03    1.04095e+05    2.77450e+05   -1.71351e+04   -2.14696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20451e+04   -1.72957e+06    3.47560e+05   -1.38201e+06   -1.35429e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11922e+02   -2.10658e+02   -1.05810e+02    4.04006e-06

           Step           Time
        3290000     6580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62758e+03    1.84874e+04    1.25303e+04    1.01910e+03   -2.70838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50472e+03    1.04090e+05    2.79237e+05   -1.71643e+04   -2.14893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19139e+04   -1.72939e+06    3.50016e+05   -1.37938e+06   -1.35425e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14126e+02   -2.11375e+02   -3.24982e+01    3.87767e-06

           Step           Time
        3295000     6590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48777e+03    1.85554e+04    1.25524e+04    1.12604e+03   -2.93860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44963e+03    1.03953e+05    2.79217e+05   -1.71086e+04   -2.14786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22526e+04   -1.72831e+06    3.49390e+05   -1.37892e+06   -1.35422e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13564e+02   -2.10009e+02   -7.31573e+01    4.17122e-06

           Step           Time
        3300000     6600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52708e+03    1.84615e+04    1.26319e+04    1.13954e+03   -2.83716e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56849e+03    1.03613e+05    2.79955e+05   -1.71802e+04   -2.14966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21254e+04   -1.72966e+06    3.49548e+05   -1.38011e+06   -1.35418e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13706e+02   -2.11767e+02    1.19445e+02    3.93724e-06

           Step           Time
        3305000     6610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60389e+03    1.84187e+04    1.24594e+04    1.01322e+03   -2.81171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47831e+03    1.03868e+05    2.78799e+05   -1.71578e+04   -2.14685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20578e+04   -1.72812e+06    3.48436e+05   -1.37968e+06   -1.35412e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12708e+02   -2.11217e+02   -6.57773e+01    4.13215e-06

           Step           Time
        3310000     6620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56006e+03    1.81017e+04    1.24584e+04    9.85145e+02   -2.77493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52379e+03    1.03966e+05    2.80589e+05   -1.71397e+04   -2.14974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22658e+04   -1.72920e+06    3.46402e+05   -1.38280e+06   -1.35406e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10882e+02   -2.10772e+02    7.89430e+01    3.96202e-06

           Step           Time
        3315000     6630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56736e+03    1.85783e+04    1.25181e+04    1.09713e+03   -2.77369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64343e+03    1.03699e+05    2.80926e+05   -1.71896e+04   -2.15136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20588e+04   -1.73023e+06    3.49091e+05   -1.38114e+06   -1.35404e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13296e+02   -2.11998e+02    1.52333e+02    4.10119e-06

           Step           Time
        3320000     6640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77610e+03    1.83353e+04    1.24345e+04    1.15219e+03   -2.69581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52246e+03    1.03802e+05    2.78353e+05   -1.71864e+04   -2.14802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21873e+04   -1.72934e+06    3.50169e+05   -1.37917e+06   -1.35401e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14263e+02   -2.11920e+02   -1.74805e+01    4.14964e-06

           Step           Time
        3325000     6650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52374e+03    1.82543e+04    1.23460e+04    1.07305e+03   -2.74160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49775e+03    1.04048e+05    2.80167e+05   -1.71095e+04   -2.14691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22045e+04   -1.72665e+06    3.48293e+05   -1.37835e+06   -1.35397e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12580e+02   -2.10031e+02    5.92737e+01    4.13014e-06

           Step           Time
        3330000     6660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67945e+03    1.85886e+04    1.25231e+04    1.08135e+03   -2.82287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52491e+03    1.03767e+05    2.78370e+05   -1.71608e+04   -2.14828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21899e+04   -1.72954e+06    3.47188e+05   -1.38236e+06   -1.35392e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11588e+02   -2.11290e+02   -4.78474e+01    4.14433e-06

           Step           Time
        3335000     6670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66224e+03    1.82904e+04    1.23179e+04    1.03319e+03   -2.78953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39039e+03    1.03900e+05    2.79262e+05   -1.71579e+04   -2.14983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24075e+04   -1.73052e+06    3.49024e+05   -1.38149e+06   -1.35395e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13235e+02   -2.11219e+02   -9.63051e+01    4.14212e-06

           Step           Time
        3340000     6680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69987e+03    1.86812e+04    1.22894e+04    1.06994e+03   -2.79075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39705e+03    1.03448e+05    2.79703e+05   -1.71717e+04   -2.14881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21834e+04   -1.72930e+06    3.49429e+05   -1.37988e+06   -1.35388e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13599e+02   -2.11558e+02   -3.33886e+00    4.02319e-06

           Step           Time
        3345000     6690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57132e+03    1.83309e+04    1.24653e+04    1.11378e+03   -2.78473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39238e+03    1.04158e+05    2.79950e+05   -1.71811e+04   -2.15017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22803e+04   -1.72988e+06    3.49285e+05   -1.38059e+06   -1.35386e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13470e+02   -2.11791e+02    3.44899e+01    3.95425e-06

           Step           Time
        3350000     6700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57518e+03    1.82699e+04    1.24654e+04    1.16049e+03   -2.78779e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50195e+03    1.03841e+05    2.79250e+05   -1.71873e+04   -2.14670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22751e+04   -1.72734e+06    3.50014e+05   -1.37732e+06   -1.35383e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14124e+02   -2.11943e+02    5.36026e+01    4.09381e-06

           Step           Time
        3355000     6710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70108e+03    1.85698e+04    1.25129e+04    1.02499e+03   -2.87550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38577e+03    1.04020e+05    2.80163e+05   -1.71550e+04   -2.14992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21165e+04   -1.72945e+06    3.48462e+05   -1.38099e+06   -1.35379e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12731e+02   -2.11147e+02   -1.17802e+01    4.04032e-06

           Step           Time
        3360000     6720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48983e+03    1.83476e+04    1.23010e+04    1.06530e+03   -2.79463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58375e+03    1.03950e+05    2.77881e+05   -1.71625e+04   -2.14601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23645e+04   -1.72798e+06    3.49049e+05   -1.37893e+06   -1.35383e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13258e+02   -2.11332e+02   -4.67318e+01    4.04661e-06

           Step           Time
        3365000     6730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52125e+03    1.87810e+04    1.24529e+04    1.06189e+03   -2.86613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37546e+03    1.03492e+05    2.76102e+05   -1.71414e+04   -2.14326e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20456e+04   -1.72743e+06    3.49825e+05   -1.37761e+06   -1.35377e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13955e+02   -2.10814e+02   -1.57825e+02    4.36617e-06

           Step           Time
        3370000     6740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73963e+03    1.82127e+04    1.25018e+04    1.01033e+03   -2.73713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45817e+03    1.04165e+05    2.79025e+05   -1.71393e+04   -2.14908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22147e+04   -1.72963e+06    3.48860e+05   -1.38077e+06   -1.35373e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13088e+02   -2.10762e+02   -9.29500e+01    3.96872e-06

           Step           Time
        3375000     6750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44327e+03    1.79803e+04    1.23818e+04    1.07215e+03   -2.80942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58702e+03    1.03825e+05    2.79143e+05   -1.71518e+04   -2.15000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21882e+04   -1.73134e+06    3.47106e+05   -1.38424e+06   -1.35375e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11514e+02   -2.11069e+02   -1.81231e+01    4.06200e-06

           Step           Time
        3380000     6760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57590e+03    1.85574e+04    1.24640e+04    1.14304e+03   -2.70710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48467e+03    1.03859e+05    2.78375e+05   -1.71322e+04   -2.14711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23216e+04   -1.72817e+06    3.49455e+05   -1.37871e+06   -1.35367e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13623e+02   -2.10586e+02   -6.18838e+01    3.96809e-06

           Step           Time
        3385000     6770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53080e+03    1.85161e+04    1.22957e+04    1.08764e+03   -2.84021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50422e+03    1.03954e+05    2.81967e+05   -1.71898e+04   -2.15026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21308e+04   -1.72830e+06    3.48604e+05   -1.37970e+06   -1.35364e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12859e+02   -2.12005e+02    1.45969e+02    4.03358e-06

           Step           Time
        3390000     6780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54788e+03    1.86282e+04    1.23446e+04    1.13510e+03   -2.82501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45721e+03    1.03721e+05    2.77345e+05   -1.71751e+04   -2.14619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21551e+04   -1.72885e+06    3.47578e+05   -1.38128e+06   -1.35362e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11938e+02   -2.11643e+02   -6.11804e+01    3.98276e-06

           Step           Time
        3395000     6790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47953e+03    1.81714e+04    1.25251e+04    1.07582e+03   -2.81423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48253e+03    1.04241e+05    2.77492e+05   -1.71672e+04   -2.14639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20108e+04   -1.72889e+06    3.48896e+05   -1.37999e+06   -1.35361e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13121e+02   -2.11447e+02   -8.87731e+01    3.92864e-06

           Step           Time
        3400000     6800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70312e+03    1.82444e+04    1.23347e+04    1.00510e+03   -2.83296e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34035e+03    1.03717e+05    2.80091e+05   -1.72068e+04   -2.15109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20459e+04   -1.73164e+06    3.49793e+05   -1.38185e+06   -1.35361e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13926e+02   -2.12424e+02    2.34154e+01    4.18840e-06

           Step           Time
        3405000     6810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45289e+03    1.83573e+04    1.24488e+04    1.14692e+03   -2.84123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51033e+03    1.03705e+05    2.79454e+05   -1.71844e+04   -2.14960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22020e+04   -1.73035e+06    3.47174e+05   -1.38317e+06   -1.35351e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11575e+02   -2.11872e+02   -6.15591e+00    3.96133e-06

           Step           Time
        3410000     6820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68896e+03    1.86515e+04    1.23892e+04    1.12590e+03   -2.86369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38679e+03    1.03697e+05    2.78693e+05   -1.71574e+04   -2.14944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21833e+04   -1.73064e+06    3.49001e+05   -1.38164e+06   -1.35350e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13215e+02   -2.11206e+02   -3.61761e+01    4.06974e-06

           Step           Time
        3415000     6830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56329e+03    1.79253e+04    1.25079e+04    1.14426e+03   -2.74082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57126e+03    1.03830e+05    2.82121e+05   -1.71909e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21635e+04   -1.73048e+06    3.48192e+05   -1.38229e+06   -1.35348e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12489e+02   -2.12032e+02    1.55726e+02    4.07493e-06

           Step           Time
        3420000     6840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60176e+03    1.81528e+04    1.24551e+04    1.10232e+03   -2.81158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44886e+03    1.03569e+05    2.77268e+05   -1.71717e+04   -2.14602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22810e+04   -1.72912e+06    3.49016e+05   -1.38011e+06   -1.35345e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13228e+02   -2.11558e+02   -7.31108e+01    3.97999e-06

           Step           Time
        3425000     6850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49848e+03    1.83805e+04    1.24737e+04    1.03346e+03   -2.81515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53545e+03    1.03171e+05    2.77322e+05   -1.71364e+04   -2.14375e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21262e+04   -1.72717e+06    3.49381e+05   -1.37778e+06   -1.35343e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13556e+02   -2.10691e+02   -2.88543e+01    4.18502e-06

           Step           Time
        3430000     6860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77166e+03    1.82917e+04    1.24664e+04    1.15524e+03   -2.89822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51448e+03    1.03359e+05    2.79044e+05   -1.71356e+04   -2.14734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21331e+04   -1.72864e+06    3.49896e+05   -1.37875e+06   -1.35340e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14018e+02   -2.10670e+02    1.24511e+01    4.09391e-06

           Step           Time
        3435000     6870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68379e+03    1.86788e+04    1.24444e+04    1.15384e+03   -2.56931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52748e+03    1.03707e+05    2.79562e+05   -1.71735e+04   -2.14968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21798e+04   -1.72948e+06    3.48795e+05   -1.38069e+06   -1.35335e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13030e+02   -2.11603e+02    5.55573e+01    3.90687e-06

           Step           Time
        3440000     6880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59708e+03    1.84430e+04    1.23728e+04    1.03649e+03   -2.78647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50446e+03    1.03638e+05    2.82097e+05   -1.71751e+04   -2.15203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21790e+04   -1.73012e+06    3.49262e+05   -1.38086e+06   -1.35333e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13449e+02   -2.11642e+02    1.23853e+02    3.96010e-06

           Step           Time
        3445000     6890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46604e+03    1.81696e+04    1.23356e+04    9.82215e+02   -2.77031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60882e+03    1.03898e+05    2.80455e+05   -1.71573e+04   -2.15165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21941e+04   -1.73147e+06    3.49804e+05   -1.38167e+06   -1.35337e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13935e+02   -2.11205e+02    3.44971e+01    4.08311e-06

           Step           Time
        3450000     6900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51037e+03    1.83891e+04    1.23170e+04    1.06837e+03   -2.69596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53775e+03    1.03658e+05    2.78170e+05   -1.71802e+04   -2.14570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21036e+04   -1.72783e+06    3.48268e+05   -1.37956e+06   -1.35326e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12557e+02   -2.11768e+02    7.03598e+01    4.02584e-06

           Step           Time
        3455000     6910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56758e+03    1.80794e+04    1.26568e+04    1.14283e+03   -2.71955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41249e+03    1.03414e+05    2.78627e+05   -1.71918e+04   -2.14977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20586e+04   -1.73172e+06    3.48755e+05   -1.38297e+06   -1.35330e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12994e+02   -2.12053e+02   -5.28584e-01    4.04720e-06

           Step           Time
        3460000     6920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61309e+03    1.80958e+04    1.24735e+04    1.09469e+03   -2.85870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41748e+03    1.03150e+05    2.75694e+05   -1.71396e+04   -2.14395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21776e+04   -1.72923e+06    3.47452e+05   -1.38178e+06   -1.35321e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11825e+02   -2.10768e+02   -1.66168e+02    4.07867e-06

           Step           Time
        3465000     6930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80285e+03    1.87036e+04    1.23152e+04    1.06333e+03   -2.79677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38878e+03    1.03375e+05    2.78423e+05   -1.71479e+04   -2.14913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21564e+04   -1.73085e+06    3.49294e+05   -1.38155e+06   -1.35318e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13478e+02   -2.10972e+02   -1.05976e+02    3.93843e-06

           Step           Time
        3470000     6940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83354e+03    1.84315e+04    1.24943e+04    1.03983e+03   -2.76600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50125e+03    1.03811e+05    2.80083e+05   -1.71752e+04   -2.14742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20954e+04   -1.72707e+06    3.49124e+05   -1.37795e+06   -1.35317e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13325e+02   -2.11645e+02    7.62091e+01    4.01987e-06

           Step           Time
        3475000     6950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43536e+03    1.84654e+04    1.25077e+04    1.18241e+03   -2.78310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38748e+03    1.03537e+05    2.79288e+05   -1.71689e+04   -2.15019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21377e+04   -1.73120e+06    3.49860e+05   -1.38134e+06   -1.35316e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13986e+02   -2.11491e+02   -4.62252e+01    4.20274e-06

           Step           Time
        3480000     6960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73571e+03    1.86468e+04    1.23888e+04    1.06481e+03   -2.82506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44278e+03    1.03305e+05    2.78233e+05   -1.71924e+04   -2.14729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20245e+04   -1.72947e+06    3.47764e+05   -1.38170e+06   -1.35312e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12104e+02   -2.12068e+02   -6.42049e+01    3.95142e-06

           Step           Time
        3485000     6970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58724e+03    1.81653e+04    1.25737e+04    1.18763e+03   -2.79220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58026e+03    1.03604e+05    2.81084e+05   -1.71121e+04   -2.15175e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22636e+04   -1.73061e+06    3.49878e+05   -1.38073e+06   -1.35308e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14002e+02   -2.10094e+02    8.09138e+01    4.12679e-06

           Step           Time
        3490000     6980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76690e+03    1.83795e+04    1.23931e+04    1.08174e+03   -2.79327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31584e+03    1.03215e+05    2.76365e+05   -1.71650e+04   -2.14511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22493e+04   -1.72930e+06    3.48938e+05   -1.38036e+06   -1.35303e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13158e+02   -2.11394e+02   -1.51785e+02    4.08044e-06

           Step           Time
        3495000     6990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88503e+03    1.84601e+04    1.23527e+04    1.13713e+03   -2.76969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34948e+03    1.03681e+05    2.77910e+05   -1.71563e+04   -2.14686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22672e+04   -1.72874e+06    3.48208e+05   -1.38053e+06   -1.35298e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12503e+02   -2.11181e+02   -1.21266e+02    3.87277e-06

           Step           Time
        3500000     7000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70794e+03    1.81492e+04    1.23343e+04    9.58499e+02   -2.84002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48956e+03    1.03823e+05    2.78619e+05   -1.71587e+04   -2.14588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20786e+04   -1.72772e+06    3.48881e+05   -1.37884e+06   -1.35294e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13107e+02   -2.11237e+02   -3.88861e+01    3.91781e-06

           Step           Time
        3505000     7010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37404e+03    1.77950e+04    1.23024e+04    1.16980e+03   -2.71331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64486e+03    1.03907e+05    2.78108e+05   -1.72032e+04   -2.15011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20220e+04   -1.73271e+06    3.47685e+05   -1.38502e+06   -1.35293e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12034e+02   -2.12335e+02   -1.15276e+01    4.10642e-06

           Step           Time
        3510000     7020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52954e+03    1.82918e+04    1.24678e+04    1.04420e+03   -2.81595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60018e+03    1.03393e+05    2.80632e+05   -1.71647e+04   -2.14905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22947e+04   -1.72878e+06    3.48609e+05   -1.38017e+06   -1.35288e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12863e+02   -2.11387e+02    1.13161e+02    4.08488e-06

           Step           Time
        3515000     7030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56491e+03    1.84718e+04    1.23509e+04    1.21666e+03   -2.77640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44769e+03    1.02954e+05    2.77240e+05   -1.71890e+04   -2.14528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22245e+04   -1.72878e+06    3.48155e+05   -1.38062e+06   -1.35285e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12455e+02   -2.11984e+02   -3.84680e+01    3.94050e-06

           Step           Time
        3520000     7040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46400e+03    1.78624e+04    1.21905e+04    1.21569e+03   -2.75997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65081e+03    1.03493e+05    2.78287e+05   -1.71654e+04   -2.14561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20657e+04   -1.72831e+06    3.47824e+05   -1.38049e+06   -1.35281e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12158e+02   -2.11403e+02    1.40121e+01    4.15398e-06

           Step           Time
        3525000     7050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49073e+03    1.87348e+04    1.23619e+04    1.13184e+03   -2.74265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40894e+03    1.03143e+05    2.76709e+05   -1.71266e+04   -2.14437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20808e+04   -1.72817e+06    3.48207e+05   -1.37997e+06   -1.35276e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12502e+02   -2.10450e+02   -8.92879e+01    4.02761e-06

           Step           Time
        3530000     7060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61411e+03    1.85221e+04    1.24505e+04    1.08891e+03   -2.80385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42025e+03    1.03113e+05    2.77247e+05   -1.71432e+04   -2.14457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21052e+04   -1.72796e+06    3.47375e+05   -1.38059e+06   -1.35275e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11755e+02   -2.10858e+02   -7.94378e+01    4.07843e-06

           Step           Time
        3535000     7070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59606e+03    1.82033e+04    1.25041e+04    1.08788e+03   -2.77519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49223e+03    1.03001e+05    2.78882e+05   -1.71303e+04   -2.14522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22377e+04   -1.72712e+06    3.49784e+05   -1.37734e+06   -1.35276e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13917e+02   -2.10540e+02    3.27276e+00    3.86948e-06

           Step           Time
        3540000     7080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53630e+03    1.84562e+04    1.24781e+04    1.06355e+03   -2.83655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50582e+03    1.03144e+05    2.76678e+05   -1.71427e+04   -2.14477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20532e+04   -1.72883e+06    3.49459e+05   -1.37937e+06   -1.35270e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13626e+02   -2.10845e+02   -7.28223e+01    4.01204e-06

           Step           Time
        3545000     7090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72708e+03    1.84422e+04    1.23536e+04    1.10168e+03   -2.71283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53198e+03    1.03745e+05    2.80268e+05   -1.71384e+04   -2.14721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23573e+04   -1.72653e+06    3.48729e+05   -1.37780e+06   -1.35262e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12971e+02   -2.10740e+02    1.48570e+02    4.04904e-06

           Step           Time
        3550000     7100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66983e+03    1.81982e+04    1.25030e+04    1.05919e+03   -2.75607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49489e+03    1.03402e+05    2.82409e+05   -1.71584e+04   -2.15178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21456e+04   -1.72981e+06    3.49010e+05   -1.38080e+06   -1.35265e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13223e+02   -2.11232e+02    1.13041e+02    4.20726e-06

           Step           Time
        3555000     7110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84944e+03    1.82942e+04    1.21694e+04    1.19959e+03   -2.68762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44373e+03    1.03013e+05    2.79815e+05   -1.71908e+04   -2.15071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21919e+04   -1.73161e+06    3.48530e+05   -1.38308e+06   -1.35259e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12792e+02   -2.12029e+02   -2.40318e+01    3.92686e-06

           Step           Time
        3560000     7120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53904e+03    1.81231e+04    1.24209e+04    1.03297e+03   -2.72341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51461e+03    1.04162e+05    2.79703e+05   -1.71593e+04   -2.15182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21669e+04   -1.73204e+06    3.49319e+05   -1.38272e+06   -1.35259e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13500e+02   -2.11254e+02    2.93191e+01    3.89927e-06

           Step           Time
        3565000     7130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62501e+03    1.87782e+04    1.23879e+04    1.09620e+03   -2.76271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47885e+03    1.03737e+05    2.78079e+05   -1.72140e+04   -2.14827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20123e+04   -1.73006e+06    3.49429e+05   -1.38063e+06   -1.35255e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13599e+02   -2.12601e+02    9.44373e+00    3.95877e-06

           Step           Time
        3570000     7140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78050e+03    1.83629e+04    1.23587e+04    1.05865e+03   -2.78390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47971e+03    1.03578e+05    2.80658e+05   -1.71889e+04   -2.15083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21198e+04   -1.73041e+06    3.48763e+05   -1.38164e+06   -1.35255e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13001e+02   -2.11982e+02    6.28660e+01    3.93355e-06

           Step           Time
        3575000     7150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61783e+03    1.83949e+04    1.23302e+04    1.07128e+03   -2.88607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54624e+03    1.03697e+05    2.78480e+05   -1.71758e+04   -2.14655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20249e+04   -1.72845e+06    3.49000e+05   -1.37945e+06   -1.35250e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13214e+02   -2.11660e+02    9.34594e+00    3.91313e-06

           Step           Time
        3580000     7160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48673e+03    1.87330e+04    1.23281e+04    1.20203e+03   -2.74747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55298e+03    1.03653e+05    2.80051e+05   -1.72113e+04   -2.14967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19600e+04   -1.72966e+06    3.48371e+05   -1.38129e+06   -1.35244e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12650e+02   -2.12534e+02    1.10758e+02    4.11122e-06

           Step           Time
        3585000     7170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55814e+03    1.80272e+04    1.23668e+04    1.09135e+03   -2.74535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43326e+03    1.03521e+05    2.76491e+05   -1.71733e+04   -2.14453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22558e+04   -1.72870e+06    3.45729e+05   -1.38297e+06   -1.35244e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10278e+02   -2.11598e+02   -1.03725e+02    4.07813e-06

           Step           Time
        3590000     7180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47360e+03    1.81198e+04    1.21527e+04    1.04090e+03   -2.81490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54772e+03    1.03611e+05    2.79659e+05   -1.71743e+04   -2.14976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18925e+04   -1.73125e+06    3.48323e+05   -1.38292e+06   -1.35241e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12606e+02   -2.11622e+02    1.03711e+02    4.00180e-06

           Step           Time
        3595000     7190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26701e+03    1.83426e+04    1.22234e+04    1.07580e+03   -2.67527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50875e+03    1.04308e+05    2.79568e+05   -1.71556e+04   -2.15057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19325e+04   -1.73117e+06    3.48466e+05   -1.38271e+06   -1.35235e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12735e+02   -2.11163e+02   -1.38250e+01    3.88561e-06

           Step           Time
        3600000     7200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65871e+03    1.86451e+04    1.23080e+04    1.20698e+03   -2.83969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39741e+03    1.03650e+05    2.80015e+05   -1.71850e+04   -2.14880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22051e+04   -1.72874e+06    3.49690e+05   -1.37905e+06   -1.35233e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13833e+02   -2.11885e+02    6.58391e+01    4.10048e-06

           Step           Time
        3605000     7210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68349e+03    1.79638e+04    1.24242e+04    1.11990e+03   -2.82703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50022e+03    1.03570e+05    2.81373e+05   -1.71992e+04   -2.15347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19628e+04   -1.73290e+06    3.46815e+05   -1.38609e+06   -1.35228e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11253e+02   -2.12235e+02    3.37222e+01    3.97579e-06

           Step           Time
        3610000     7220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75236e+03    1.82661e+04    1.23076e+04    1.07109e+03   -2.75022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48961e+03    1.03842e+05    2.80627e+05   -1.71900e+04   -2.15126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21220e+04   -1.73073e+06    3.49647e+05   -1.38108e+06   -1.35223e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13795e+02   -2.12008e+02    1.58984e+01    4.08368e-06

           Step           Time
        3615000     7230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55611e+03    1.83207e+04    1.23634e+04    1.06554e+03   -2.82832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49408e+03    1.03948e+05    2.78620e+05   -1.71755e+04   -2.14751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21274e+04   -1.72902e+06    3.48471e+05   -1.38055e+06   -1.35220e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12739e+02   -2.11652e+02   -3.15889e+01    4.00500e-06

           Step           Time
        3620000     7240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42661e+03    1.76352e+04    1.22089e+04    1.15743e+03   -2.82531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53943e+03    1.03992e+05    2.75676e+05   -1.71669e+04   -2.14405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19272e+04   -1.72948e+06    3.49294e+05   -1.38018e+06   -1.35222e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13478e+02   -2.11441e+02   -6.99496e+01    4.01436e-06

           Step           Time
        3625000     7250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46397e+03    1.86307e+04    1.24179e+04    1.11005e+03   -2.76141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43448e+03    1.03498e+05    2.77588e+05   -1.71483e+04   -2.14487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21058e+04   -1.72754e+06    3.48399e+05   -1.37914e+06   -1.35214e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12674e+02   -2.10983e+02   -8.44873e+01    4.13135e-06

           Step           Time
        3630000     7260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68873e+03    1.85052e+04    1.23121e+04    1.03540e+03   -2.84954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41547e+03    1.03367e+05    2.79207e+05   -1.71362e+04   -2.14942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21618e+04   -1.73071e+06    3.47768e+05   -1.38294e+06   -1.35210e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12108e+02   -2.10685e+02   -4.32590e+01    4.00007e-06

           Step           Time
        3635000     7270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49925e+03    1.83027e+04    1.23823e+04    1.12610e+03   -2.73458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48366e+03    1.03761e+05    2.79746e+05   -1.71469e+04   -2.14794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21665e+04   -1.72835e+06    3.48702e+05   -1.37965e+06   -1.35207e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12946e+02   -2.10947e+02    3.55158e+01    4.12762e-06

           Step           Time
        3640000     7280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45448e+03    1.80250e+04    1.25100e+04    1.12700e+03   -2.81284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42797e+03    1.03788e+05    2.78265e+05   -1.71804e+04   -2.15018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21087e+04   -1.73247e+06    3.48191e+05   -1.38428e+06   -1.35207e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12488e+02   -2.11772e+02   -1.00260e+02    3.88430e-06

           Step           Time
        3645000     7290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41167e+03    1.83063e+04    1.24933e+04    1.11644e+03   -2.81539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57621e+03    1.03737e+05    2.80977e+05   -1.72069e+04   -2.15339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20171e+04   -1.73278e+06    3.50620e+05   -1.38216e+06   -1.35205e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14667e+02   -2.12425e+02    4.11462e+01    4.11410e-06

           Step           Time
        3650000     7300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58823e+03    1.82388e+04    1.23998e+04    1.09330e+03   -2.83597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42113e+03    1.03474e+05    2.78487e+05   -1.71671e+04   -2.14957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21004e+04   -1.73177e+06    3.46231e+05   -1.38554e+06   -1.35198e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10729e+02   -2.11445e+02   -9.36809e+01    3.86578e-06

           Step           Time
        3655000     7310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32207e+03    1.86157e+04    1.25020e+04    1.11990e+03   -2.80776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61955e+03    1.03282e+05    2.77964e+05   -1.71485e+04   -2.14633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20764e+04   -1.72878e+06    3.50487e+05   -1.37830e+06   -1.35195e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14548e+02   -2.10988e+02    2.24816e+00    4.32641e-06

           Step           Time
        3660000     7320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70109e+03    1.83403e+04    1.24223e+04    1.08511e+03   -2.73210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59644e+03    1.03950e+05    2.81358e+05   -1.71687e+04   -2.15001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19883e+04   -1.72847e+06    3.49147e+05   -1.37932e+06   -1.35189e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13346e+02   -2.11484e+02    9.66663e+01    3.99818e-06

           Step           Time
        3665000     7330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52348e+03    1.83680e+04    1.24225e+04    1.09486e+03   -2.81468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47779e+03    1.03778e+05    2.82180e+05   -1.71803e+04   -2.15110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19113e+04   -1.72934e+06    3.49876e+05   -1.37946e+06   -1.35187e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14000e+02   -2.11770e+02    1.94897e+02    3.88416e-06

           Step           Time
        3670000     7340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36477e+03    1.82782e+04    1.25582e+04    1.06389e+03   -2.77755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51240e+03    1.03772e+05    2.77783e+05   -1.71414e+04   -2.14621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22918e+04   -1.72851e+06    3.46921e+05   -1.38159e+06   -1.35181e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11348e+02   -2.10814e+02   -5.09266e+01    4.02248e-06

           Step           Time
        3675000     7350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68699e+03    1.86936e+04    1.22758e+04    1.09052e+03   -2.85091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47452e+03    1.03745e+05    2.78029e+05   -1.71622e+04   -2.14606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21528e+04   -1.72793e+06    3.47847e+05   -1.38008e+06   -1.35178e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12179e+02   -2.11324e+02   -3.11777e+01    3.87582e-06

           Step           Time
        3680000     7360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47497e+03    1.85262e+04    1.24483e+04    1.16203e+03   -2.82957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54941e+03    1.03626e+05    2.79327e+05   -1.71380e+04   -2.14715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22814e+04   -1.72772e+06    3.49144e+05   -1.37858e+06   -1.35180e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13344e+02   -2.10729e+02   -8.42906e+00    4.04478e-06

           Step           Time
        3685000     7370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85588e+03    1.84103e+04    1.24574e+04    1.12848e+03   -2.97182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45399e+03    1.03614e+05    2.75736e+05   -1.71567e+04   -2.14219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21254e+04   -1.72654e+06    3.48785e+05   -1.37775e+06   -1.35172e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13021e+02   -2.11189e+02   -9.44208e+01    4.04053e-06

Writing checkpoint, step 3685300 at Thu Dec  7 06:12:56 2023


           Step           Time
        3690000     7380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60616e+03    1.83881e+04    1.25412e+04    1.06106e+03   -2.81242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51805e+03    1.03617e+05    2.79405e+05   -1.71623e+04   -2.14780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20900e+04   -1.72855e+06    3.48872e+05   -1.37968e+06   -1.35168e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13099e+02   -2.11327e+02    1.28318e+01    4.06115e-06

           Step           Time
        3695000     7390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44744e+03    1.78491e+04    1.23628e+04    1.05714e+03   -2.85555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57635e+03    1.03820e+05    2.80279e+05   -1.71792e+04   -2.14940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23310e+04   -1.72971e+06    3.47869e+05   -1.38184e+06   -1.35169e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12199e+02   -2.11743e+02    6.87511e+01    3.94368e-06

           Step           Time
        3700000     7400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55783e+03    1.81351e+04    1.22509e+04    1.11203e+03   -2.79510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54370e+03    1.04167e+05    2.79999e+05   -1.71501e+04   -2.15088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19763e+04   -1.73108e+06    3.49509e+05   -1.38157e+06   -1.35161e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13671e+02   -2.11026e+02    1.21107e+01    4.06969e-06

           Step           Time
        3705000     7410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66871e+03    1.80025e+04    1.22702e+04    1.09231e+03   -2.79198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52719e+03    1.03967e+05    2.76698e+05   -1.71621e+04   -2.14636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21297e+04   -1.72996e+06    3.48680e+05   -1.38128e+06   -1.35160e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12926e+02   -2.11322e+02   -1.50742e+02    4.04248e-06

           Step           Time
        3710000     7420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57709e+03    1.85141e+04    1.23703e+04    1.13569e+03   -2.90001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63616e+03    1.04028e+05    2.79636e+05   -1.70967e+04   -2.14864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22601e+04   -1.72848e+06    3.48625e+05   -1.37985e+06   -1.35155e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12878e+02   -2.09715e+02   -6.53391e+01    4.02927e-06

           Step           Time
        3715000     7430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66186e+03    1.81380e+04    1.24393e+04    1.05143e+03   -2.72166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45948e+03    1.03478e+05    2.78089e+05   -1.71705e+04   -2.14624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22031e+04   -1.72861e+06    3.48471e+05   -1.38014e+06   -1.35150e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12739e+02   -2.11528e+02    1.20729e+00    3.94657e-06

           Step           Time
        3720000     7440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83294e+03    1.78005e+04    1.22985e+04    1.08840e+03   -2.61708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50482e+03    1.04080e+05    2.80731e+05   -1.71522e+04   -2.15291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19975e+04   -1.73235e+06    3.47967e+05   -1.38438e+06   -1.35144e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12286e+02   -2.11079e+02   -5.43119e+01    3.94069e-06

           Step           Time
        3725000     7450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50490e+03    1.83948e+04    1.25065e+04    1.12900e+03   -2.80192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56759e+03    1.04059e+05    2.77934e+05   -1.71968e+04   -2.14584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22242e+04   -1.72752e+06    3.48878e+05   -1.37864e+06   -1.35139e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13105e+02   -2.12175e+02    3.99249e+01    4.02906e-06

           Step           Time
        3730000     7460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63846e+03    1.81092e+04    1.22486e+04    1.13729e+03   -2.70423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51212e+03    1.03870e+05    2.81340e+05   -1.71405e+04   -2.15062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21413e+04   -1.72947e+06    3.47066e+05   -1.38240e+06   -1.35135e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.10790e+02    4.21140e+01    3.87282e-06

           Step           Time
        3735000     7470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48750e+03    1.83081e+04    1.24187e+04    1.09566e+03   -2.67028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58356e+03    1.03923e+05    2.79766e+05   -1.71691e+04   -2.14987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19384e+04   -1.73019e+06    3.47290e+05   -1.38290e+06   -1.35135e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11679e+02   -2.11494e+02    5.91976e+01    3.99776e-06

           Step           Time
        3740000     7480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57388e+03    1.77809e+04    1.22364e+04    1.13264e+03   -2.86501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58237e+03    1.03966e+05    2.79379e+05   -1.72040e+04   -2.15149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20763e+04   -1.73283e+06    3.48658e+05   -1.38417e+06   -1.35133e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12907e+02   -2.12354e+02    8.54574e+00    3.88335e-06

           Step           Time
        3745000     7490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55839e+03    1.84801e+04    1.25089e+04    1.04080e+03   -2.79197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53372e+03    1.03528e+05    2.78419e+05   -1.71564e+04   -2.14803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21272e+04   -1.72978e+06    3.46950e+05   -1.38283e+06   -1.35129e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11374e+02   -2.11181e+02   -5.16169e+01    3.77377e-06

           Step           Time
        3750000     7500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52729e+03    1.84352e+04    1.23519e+04    1.10920e+03   -2.88708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44697e+03    1.03804e+05    2.78997e+05   -1.71461e+04   -2.14912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20941e+04   -1.73039e+06    3.49009e+05   -1.38138e+06   -1.35131e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13222e+02   -2.10929e+02   -2.43707e+01    3.84369e-06

           Step           Time
        3755000     7510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91419e+03    1.80677e+04    1.24820e+04    1.12838e+03   -2.79166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54320e+03    1.03571e+05    2.80414e+05   -1.72060e+04   -2.15029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22501e+04   -1.72992e+06    3.49550e+05   -1.38037e+06   -1.35124e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13707e+02   -2.12402e+02    1.62205e+01    3.92509e-06

           Step           Time
        3760000     7520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32998e+03    1.81396e+04    1.24664e+04    1.12078e+03   -2.76805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45992e+03    1.04387e+05    2.80037e+05   -1.71807e+04   -2.14999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21751e+04   -1.72982e+06    3.48406e+05   -1.38142e+06   -1.35123e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12681e+02   -2.11780e+02    8.14864e+01    3.92666e-06

           Step           Time
        3765000     7530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51994e+03    1.81392e+04    1.24226e+04    1.07367e+03   -2.84192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58421e+03    1.03809e+05    2.78970e+05   -1.71793e+04   -2.14976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20519e+04   -1.73121e+06    3.47902e+05   -1.38330e+06   -1.35120e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12229e+02   -2.11745e+02    2.56266e+01    3.95628e-06

           Step           Time
        3770000     7540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67176e+03    1.81449e+04    1.23691e+04    1.09259e+03   -2.92520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50486e+03    1.04062e+05    2.80749e+05   -1.71763e+04   -2.14968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21579e+04   -1.72903e+06    3.48342e+05   -1.38069e+06   -1.35117e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12623e+02   -2.11672e+02    7.81232e+01    4.00779e-06

           Step           Time
        3775000     7550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40756e+03    1.80992e+04    1.24195e+04    1.04177e+03   -2.74701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39669e+03    1.04109e+05    2.79421e+05   -1.71785e+04   -2.15175e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21521e+04   -1.73262e+06    3.46792e+05   -1.38583e+06   -1.35113e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11232e+02   -2.11726e+02   -2.65770e+01    3.88953e-06

           Step           Time
        3780000     7560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79330e+03    1.80050e+04    1.24562e+04    1.02617e+03   -2.84521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51425e+03    1.03322e+05    2.79399e+05   -1.71099e+04   -2.14806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21763e+04   -1.72932e+06    3.48844e+05   -1.38047e+06   -1.35110e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13074e+02   -2.10040e+02   -3.10270e+01    3.92526e-06

           Step           Time
        3785000     7570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47211e+03    1.81754e+04    1.22868e+04    1.05432e+03   -2.83669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56383e+03    1.03782e+05    2.79950e+05   -1.71133e+04   -2.15009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22461e+04   -1.73051e+06    3.49270e+05   -1.38124e+06   -1.35107e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13456e+02   -2.10124e+02   -2.41836e+01    3.99254e-06

           Step           Time
        3790000     7580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67161e+03    1.84453e+04    1.23673e+04    1.15775e+03   -2.83036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44700e+03    1.03420e+05    2.80195e+05   -1.71745e+04   -2.14947e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20387e+04   -1.72973e+06    3.49183e+05   -1.38055e+06   -1.35104e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13378e+02   -2.11626e+02    2.75362e+01    3.83704e-06

           Step           Time
        3795000     7590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35623e+03    1.83025e+04    1.25655e+04    1.12494e+03   -2.87914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59443e+03    1.04184e+05    2.76470e+05   -1.71583e+04   -2.14595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20528e+04   -1.72934e+06    3.47527e+05   -1.38181e+06   -1.35099e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11892e+02   -2.11228e+02   -1.42632e+02    3.82839e-06

           Step           Time
        3800000     7600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69452e+03    1.86575e+04    1.24419e+04    1.08676e+03   -2.97576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.26923e+03    1.03765e+05    2.76566e+05   -1.71421e+04   -2.14433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20715e+04   -1.72790e+06    3.48217e+05   -1.37968e+06   -1.35098e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12511e+02   -2.10831e+02   -1.11470e+02    4.04349e-06

           Step           Time
        3805000     7610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68659e+03    1.82997e+04    1.22870e+04    1.09264e+03   -2.79770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45066e+03    1.03846e+05    2.79179e+05   -1.71600e+04   -2.14902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22049e+04   -1.72993e+06    3.49124e+05   -1.38081e+06   -1.35098e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13325e+02   -2.11269e+02   -1.49806e-01    3.92830e-06

           Step           Time
        3810000     7620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84841e+03    1.80047e+04    1.22671e+04    1.06401e+03   -2.93696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44880e+03    1.03950e+05    2.76738e+05   -1.71761e+04   -2.14897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20837e+04   -1.73268e+06    3.49553e+05   -1.38313e+06   -1.35094e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13710e+02   -2.11666e+02   -2.06533e+02    4.03237e-06

           Step           Time
        3815000     7630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52919e+03    1.80927e+04    1.23790e+04    1.07689e+03   -2.93942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42514e+03    1.04180e+05    2.78985e+05   -1.71775e+04   -2.14907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22063e+04   -1.73031e+06    3.46396e+05   -1.38391e+06   -1.35087e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10877e+02   -2.11700e+02   -6.50260e+01    3.75426e-06

           Step           Time
        3820000     7640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38899e+03    1.84074e+04    1.23931e+04    1.04324e+03   -2.78605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52540e+03    1.03908e+05    2.80283e+05   -1.71921e+04   -2.14984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22544e+04   -1.72962e+06    3.49146e+05   -1.38047e+06   -1.35085e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13345e+02   -2.12061e+02    1.05649e+02    3.84411e-06

           Step           Time
        3825000     7650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55418e+03    1.80000e+04    1.24082e+04    1.13958e+03   -2.78882e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44916e+03    1.03736e+05    2.78904e+05   -1.72066e+04   -2.15056e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20425e+04   -1.73232e+06    3.48669e+05   -1.38365e+06   -1.35084e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12917e+02   -2.12417e+02   -2.07218e+01    3.76053e-06

           Step           Time
        3830000     7660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49428e+03    1.85344e+04    1.24252e+04    1.08236e+03   -2.79618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40745e+03    1.03853e+05    2.79481e+05   -1.71575e+04   -2.14948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20697e+04   -1.73008e+06    3.50417e+05   -1.37967e+06   -1.35081e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14486e+02   -2.11210e+02   -6.63840e+00    3.94070e-06

           Step           Time
        3835000     7670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39874e+03    1.82452e+04    1.25525e+04    1.11001e+03   -2.76380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48573e+03    1.03786e+05    2.79913e+05   -1.71805e+04   -2.15215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19560e+04   -1.73264e+06    3.48659e+05   -1.38399e+06   -1.35075e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12908e+02   -2.11774e+02   -4.94682e+01    4.05985e-06

           Step           Time
        3840000     7680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57577e+03    1.86340e+04    1.22148e+04    1.10609e+03   -2.83439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41095e+03    1.03951e+05    2.80394e+05   -1.71906e+04   -2.14981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21696e+04   -1.72938e+06    3.48004e+05   -1.38138e+06   -1.35070e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12320e+02   -2.12024e+02    5.65358e+01    3.81862e-06

           Step           Time
        3845000     7690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79344e+03    1.80832e+04    1.23757e+04    1.11633e+03   -2.81342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35078e+03    1.03858e+05    2.78894e+05   -1.71835e+04   -2.14779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21916e+04   -1.72912e+06    3.49912e+05   -1.37921e+06   -1.35070e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14033e+02   -2.11849e+02   -6.44739e+01    3.88023e-06

           Step           Time
        3850000     7700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44629e+03    1.83900e+04    1.23503e+04    1.03471e+03   -2.80802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58934e+03    1.03932e+05    2.79579e+05   -1.71883e+04   -2.15185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21834e+04   -1.73235e+06    3.49079e+05   -1.38327e+06   -1.35066e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13285e+02   -2.11968e+02    2.92099e+01    3.97988e-06

           Step           Time
        3855000     7710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72112e+03    1.82484e+04    1.24151e+04    1.01760e+03   -2.69913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54043e+03    1.03885e+05    2.81496e+05   -1.71756e+04   -2.15319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21070e+04   -1.73164e+06    3.49494e+05   -1.38214e+06   -1.35064e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13657e+02   -2.11655e+02    4.85797e+01    3.91871e-06

           Step           Time
        3860000     7720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32378e+03    1.82990e+04    1.24524e+04    1.12407e+03   -2.79296e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48151e+03    1.03900e+05    2.80498e+05   -1.72443e+04   -2.15242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19985e+04   -1.73238e+06    3.48716e+05   -1.38367e+06   -1.35063e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12959e+02   -2.13349e+02    1.41285e+02    4.04499e-06

           Step           Time
        3865000     7730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43067e+03    1.81965e+04    1.25759e+04    1.09416e+03   -2.79691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62633e+03    1.04142e+05    2.80575e+05   -1.71425e+04   -2.15344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20511e+04   -1.73269e+06    3.49243e+05   -1.38345e+06   -1.35057e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13432e+02   -2.10840e+02    8.61189e+00    3.94809e-06

           Step           Time
        3870000     7740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61474e+03    1.83756e+04    1.21887e+04    1.03630e+03   -2.81339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39684e+03    1.03903e+05    2.80372e+05   -1.71604e+04   -2.15134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19959e+04   -1.73143e+06    3.48713e+05   -1.38271e+06   -1.35052e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12956e+02   -2.11280e+02   -6.91776e+01    4.15106e-06

           Step           Time
        3875000     7750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48948e+03    1.85695e+04    1.24738e+04    1.12112e+03   -2.85785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51070e+03    1.04211e+05    2.78084e+05   -1.71546e+04   -2.14882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21960e+04   -1.73017e+06    3.50406e+05   -1.37977e+06   -1.35048e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14476e+02   -2.11139e+02   -3.79247e+01    3.94353e-06

           Step           Time
        3880000     7760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31578e+03    1.87696e+04    1.23775e+04    1.20736e+03   -2.74554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46658e+03    1.03924e+05    2.77309e+05   -1.71560e+04   -2.14425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21880e+04   -1.72660e+06    3.47479e+05   -1.37912e+06   -1.35044e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11849e+02   -2.11173e+02   -2.05220e+01    4.02310e-06

           Step           Time
        3885000     7770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.19370e+03    1.83856e+04    1.23542e+04    1.06633e+03   -2.74881e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53125e+03    1.04280e+05    2.79546e+05   -1.71551e+04   -2.15049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22028e+04   -1.73083e+06    3.48574e+05   -1.38226e+06   -1.35045e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12831e+02   -2.11150e+02    3.44781e+01    3.99419e-06

           Step           Time
        3890000     7780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28590e+03    1.81314e+04    1.24171e+04    1.07943e+03   -2.67524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57639e+03    1.03649e+05    2.80700e+05   -1.71933e+04   -2.14985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20290e+04   -1.72985e+06    3.48465e+05   -1.38139e+06   -1.35045e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12733e+02   -2.12089e+02    1.06749e+02    3.85279e-06

           Step           Time
        3895000     7790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91305e+03    1.85642e+04    1.24453e+04    1.19335e+03   -2.72696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50044e+03    1.03574e+05    2.80111e+05   -1.71547e+04   -2.15055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22917e+04   -1.72984e+06    3.49955e+05   -1.37988e+06   -1.35034e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14071e+02   -2.11141e+02   -2.63224e+00    3.86405e-06

           Step           Time
        3900000     7800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45393e+03    1.81562e+04    1.24459e+04    1.10021e+03   -2.80266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65406e+03    1.04107e+05    2.80496e+05   -1.71642e+04   -2.15059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21149e+04   -1.73003e+06    3.50524e+05   -1.37951e+06   -1.35036e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14581e+02   -2.11373e+02    1.08675e+02    3.93260e-06

           Step           Time
        3905000     7810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54704e+03    1.85621e+04    1.25217e+04    1.04773e+03   -2.64337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39917e+03    1.04177e+05    2.77622e+05   -1.71258e+04   -2.14392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21617e+04   -1.72565e+06    3.49141e+05   -1.37651e+06   -1.35036e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13341e+02   -2.10429e+02   -1.04816e+02    3.91704e-06

           Step           Time
        3910000     7820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47133e+03    1.84473e+04    1.22862e+04    1.15103e+03   -2.64968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50172e+03    1.04214e+05    2.80904e+05   -1.71758e+04   -2.14963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21717e+04   -1.72831e+06    3.48779e+05   -1.37953e+06   -1.35031e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13016e+02   -2.11659e+02    9.42113e+01    3.90122e-06

           Step           Time
        3915000     7830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46413e+03    1.83890e+04    1.23899e+04    1.10896e+03   -2.75620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47786e+03    1.04231e+05    2.77373e+05   -1.71438e+04   -2.14541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22952e+04   -1.72758e+06    3.47873e+05   -1.37970e+06   -1.35026e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12203e+02   -2.10872e+02   -9.76103e+01    4.02351e-06

           Step           Time
        3920000     7840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43290e+03    1.77521e+04    1.23225e+04    1.08593e+03   -2.68117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49500e+03    1.04421e+05    2.82304e+05   -1.71550e+04   -2.15131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20487e+04   -1.72929e+06    3.47114e+05   -1.38217e+06   -1.35027e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11521e+02   -2.11146e+02    1.51673e+02    4.16685e-06

           Step           Time
        3925000     7850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39995e+03    1.81501e+04    1.22805e+04    1.07776e+03   -2.77402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50643e+03    1.03750e+05    2.79143e+05   -1.71928e+04   -2.14979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20737e+04   -1.73138e+06    3.47953e+05   -1.38342e+06   -1.35020e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12275e+02   -2.12078e+02   -1.55704e+00    4.09216e-06

           Step           Time
        3930000     7860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60495e+03    1.81565e+04    1.22883e+04    1.10927e+03   -2.70489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36850e+03    1.04173e+05    2.81764e+05   -1.71740e+04   -2.15335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21289e+04   -1.73163e+06    3.47658e+05   -1.38397e+06   -1.35021e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12009e+02   -2.11615e+02    6.31663e+01    4.33443e-06

           Step           Time
        3935000     7870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47865e+03    1.83603e+04    1.22681e+04    1.11610e+03   -2.77091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50991e+03    1.04181e+05    2.82396e+05   -1.71980e+04   -2.15394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20481e+04   -1.73155e+06    3.50138e+05   -1.38142e+06   -1.35020e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14235e+02   -2.12206e+02    1.11511e+02    3.94334e-06

           Step           Time
        3940000     7880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75073e+03    1.83989e+04    1.23307e+04    1.05976e+03   -2.78254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52465e+03    1.04017e+05    2.80365e+05   -1.71639e+04   -2.15021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20245e+04   -1.72969e+06    3.47636e+05   -1.38205e+06   -1.35010e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11990e+02   -2.11367e+02    3.22279e+01    4.08456e-06

           Step           Time
        3945000     7890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45399e+03    1.82147e+04    1.24752e+04    1.06630e+03   -2.78776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63154e+03    1.04171e+05    2.78096e+05   -1.71333e+04   -2.14733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21500e+04   -1.72899e+06    3.49363e+05   -1.37963e+06   -1.35013e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13540e+02   -2.10615e+02   -2.79080e+01    4.12987e-06

           Step           Time
        3950000     7900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56631e+03    1.83238e+04    1.23165e+04    1.06825e+03   -2.75048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44962e+03    1.03975e+05    2.79310e+05   -1.71552e+04   -2.14865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22124e+04   -1.72934e+06    3.49736e+05   -1.37960e+06   -1.35008e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13875e+02   -2.11152e+02   -1.52139e+01    3.96120e-06

           Step           Time
        3955000     7910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71866e+03    1.83363e+04    1.23846e+04    1.07167e+03   -2.72304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47921e+03    1.03941e+05    2.75942e+05   -1.71542e+04   -2.14271e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19548e+04   -1.72676e+06    3.51723e+05   -1.37504e+06   -1.35011e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15658e+02   -2.11129e+02   -1.01485e+02    4.03886e-06

           Step           Time
        3960000     7920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80235e+03    1.81876e+04    1.23963e+04    1.06352e+03   -2.71330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45059e+03    1.04057e+05    2.77913e+05   -1.71701e+04   -2.14696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22925e+04   -1.72868e+06    3.46907e+05   -1.38177e+06   -1.34998e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11335e+02   -2.11518e+02   -1.09546e+02    4.05478e-06

           Step           Time
        3965000     7930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57098e+03    1.84846e+04    1.22466e+04    1.02989e+03   -2.79000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42679e+03    1.03452e+05    2.77854e+05   -1.71463e+04   -2.14761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21337e+04   -1.73035e+06    3.47909e+05   -1.38244e+06   -1.35001e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12235e+02   -2.10934e+02   -1.28354e+02    4.12332e-06

           Step           Time
        3970000     7940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53358e+03    1.83188e+04    1.24123e+04    1.05585e+03   -2.69518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44346e+03    1.03962e+05    2.80368e+05   -1.71601e+04   -2.14940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21772e+04   -1.72898e+06    3.50181e+05   -1.37880e+06   -1.34996e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14274e+02   -2.11273e+02    1.34600e+02    4.11404e-06

           Step           Time
        3975000     7950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51671e+03    1.82987e+04    1.23965e+04    1.06989e+03   -2.79272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42498e+03    1.03947e+05    2.79875e+05   -1.72112e+04   -2.15157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20663e+04   -1.73198e+06    3.47751e+05   -1.38423e+06   -1.34995e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12093e+02   -2.12531e+02    1.41332e+01    3.98156e-06

           Step           Time
        3980000     7960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57786e+03    1.84895e+04    1.22576e+04    1.05141e+03   -2.86497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50654e+03    1.04032e+05    2.79045e+05   -1.71487e+04   -2.14738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19926e+04   -1.72844e+06    3.48816e+05   -1.37962e+06   -1.34992e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13049e+02   -2.10992e+02   -4.53913e+01    4.02367e-06

           Step           Time
        3985000     7970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57699e+03    1.84773e+04    1.24696e+04    1.05254e+03   -2.77240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51737e+03    1.03636e+05    2.80445e+05   -1.71719e+04   -2.14987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22503e+04   -1.72939e+06    3.48370e+05   -1.38102e+06   -1.34991e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12649e+02   -2.11562e+02    6.13686e+01    4.03530e-06

           Step           Time
        3990000     7980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40051e+03    1.80110e+04    1.23240e+04    1.12594e+03   -2.87592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52203e+03    1.04193e+05    2.79727e+05   -1.71934e+04   -2.15076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21621e+04   -1.73136e+06    3.48142e+05   -1.38322e+06   -1.34987e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12444e+02   -2.12092e+02    7.29460e+01    4.02210e-06

           Step           Time
        3995000     7990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66796e+03    1.81879e+04    1.22756e+04    1.10326e+03   -2.88736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47735e+03    1.03899e+05    2.79083e+05   -1.71560e+04   -2.14778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22540e+04   -1.72888e+06    3.47245e+05   -1.38163e+06   -1.34983e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11639e+02   -2.11172e+02   -3.74087e+01    3.99449e-06

           Step           Time
        4000000     8000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50505e+03    1.84095e+04    1.24524e+04    1.16223e+03   -2.85925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53757e+03    1.04163e+05    2.81010e+05   -1.71681e+04   -2.15154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20596e+04   -1.73027e+06    3.48586e+05   -1.38168e+06   -1.34979e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12842e+02   -2.11470e+02    9.14522e+01    3.90111e-06

           Step           Time
        4005000     8010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52219e+03    1.81147e+04    1.23837e+04    1.07990e+03   -2.77432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50908e+03    1.04386e+05    2.78191e+05   -1.71251e+04   -2.14711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21078e+04   -1.72872e+06    3.48674e+05   -1.38004e+06   -1.34981e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12921e+02   -2.10413e+02   -3.21883e+01    4.05614e-06

           Step           Time
        4010000     8020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36119e+03    1.82952e+04    1.23424e+04    1.14535e+03   -2.81028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45963e+03    1.04977e+05    2.78521e+05   -1.71497e+04   -2.15078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22160e+04   -1.73142e+06    3.49592e+05   -1.38183e+06   -1.34971e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13746e+02   -2.11017e+02   -3.76589e+01    4.04753e-06

           Step           Time
        4015000     8030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67771e+03    1.80715e+04    1.24413e+04    1.07128e+03   -2.92041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51290e+03    1.04551e+05    2.81688e+05   -1.71998e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20288e+04   -1.73046e+06    3.49137e+05   -1.38132e+06   -1.34969e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13337e+02   -2.12249e+02    1.54055e+02    4.13100e-06

           Step           Time
        4020000     8040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47279e+03    1.84345e+04    1.24666e+04    1.09776e+03   -2.93937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38958e+03    1.04142e+05    2.77816e+05   -1.71512e+04   -2.14583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21740e+04   -1.72793e+06    3.49689e+05   -1.37824e+06   -1.34973e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13832e+02   -2.11055e+02   -1.81392e+01    4.09223e-06

           Step           Time
        4025000     8050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88069e+03    1.83189e+04    1.24955e+04    1.01395e+03   -2.76957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49625e+03    1.04650e+05    2.79722e+05   -1.71567e+04   -2.14943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21232e+04   -1.72865e+06    3.49132e+05   -1.37952e+06   -1.34962e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13332e+02   -2.11189e+02    9.23553e-01    4.14013e-06

           Step           Time
        4030000     8060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48981e+03    1.82412e+04    1.24860e+04    1.06435e+03   -2.78967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35405e+03    1.04645e+05    2.79687e+05   -1.71413e+04   -2.14825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22571e+04   -1.72796e+06    3.50162e+05   -1.37780e+06   -1.34964e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14256e+02   -2.10810e+02   -1.66362e+01    4.10418e-06

           Step           Time
        4035000     8070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41952e+03    1.82233e+04    1.24749e+04    1.13343e+03   -2.93483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54647e+03    1.04250e+05    2.79645e+05   -1.71616e+04   -2.14735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20668e+04   -1.72769e+06    3.47172e+05   -1.38051e+06   -1.34961e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11573e+02   -2.11309e+02    7.54476e+01    4.04043e-06

           Step           Time
        4040000     8080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79848e+03    1.84021e+04    1.22722e+04    9.93657e+02   -2.71190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49646e+03    1.04292e+05    2.78311e+05   -1.71823e+04   -2.14793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21156e+04   -1.72915e+06    3.50087e+05   -1.37906e+06   -1.34959e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14190e+02   -2.11820e+02    4.89000e+01    4.12044e-06

           Step           Time
        4045000     8090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51237e+03    1.83814e+04    1.24689e+04    1.13186e+03   -2.76334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35210e+03    1.04362e+05    2.78597e+05   -1.71639e+04   -2.14846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21492e+04   -1.72944e+06    3.47834e+05   -1.38160e+06   -1.34956e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12167e+02   -2.11366e+02   -7.76917e+01    3.90782e-06

           Step           Time
        4050000     8100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59697e+03    1.83257e+04    1.23194e+04    1.01363e+03   -2.80386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47409e+03    1.03687e+05    2.80150e+05   -1.71925e+04   -2.15286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21681e+04   -1.73312e+06    3.49601e+05   -1.38352e+06   -1.34953e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13754e+02   -2.12070e+02   -4.85377e+00    4.03482e-06

           Step           Time
        4055000     8110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48621e+03    1.82738e+04    1.25547e+04    1.04671e+03   -2.76725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46935e+03    1.03988e+05    2.78616e+05   -1.71582e+04   -2.14798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21445e+04   -1.72933e+06    3.47530e+05   -1.38180e+06   -1.34948e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11894e+02   -2.11227e+02   -6.44232e+01    3.94219e-06

           Step           Time
        4060000     8120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60603e+03    1.83310e+04    1.23692e+04    1.07479e+03   -2.87456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44136e+03    1.03982e+05    2.80492e+05   -1.71845e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18408e+04   -1.73230e+06    3.47300e+05   -1.38500e+06   -1.34943e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11688e+02   -2.11874e+02    2.28767e+01    4.00520e-06

           Step           Time
        4065000     8130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43998e+03    1.83649e+04    1.22645e+04    1.09681e+03   -2.67773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41984e+03    1.03962e+05    2.78477e+05   -1.72113e+04   -2.14972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20887e+04   -1.73149e+06    3.50501e+05   -1.38099e+06   -1.34941e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14561e+02   -2.12535e+02   -3.55399e+01    4.12659e-06

           Step           Time
        4070000     8140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69471e+03    1.82995e+04    1.23227e+04    1.05432e+03   -2.78426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45959e+03    1.04107e+05    2.79662e+05   -1.71620e+04   -2.14976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21569e+04   -1.72995e+06    3.47451e+05   -1.38250e+06   -1.34935e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11824e+02   -2.11319e+02    4.98589e-01    3.81754e-06

           Step           Time
        4075000     8150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67947e+03    1.79265e+04    1.25408e+04    1.03805e+03   -2.86394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53035e+03    1.04406e+05    2.79200e+05   -1.71332e+04   -2.14756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21430e+04   -1.72809e+06    3.48336e+05   -1.37976e+06   -1.34937e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12618e+02   -2.10613e+02    4.61078e+01    3.96895e-06

           Step           Time
        4080000     8160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41584e+03    1.84520e+04    1.22241e+04    1.04572e+03   -2.71794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35218e+03    1.04241e+05    2.78283e+05   -1.71748e+04   -2.14958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19937e+04   -1.73146e+06    3.49378e+05   -1.38208e+06   -1.34936e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13553e+02   -2.11634e+02   -1.00711e+02    4.01673e-06

           Step           Time
        4085000     8170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54887e+03    1.80702e+04    1.22738e+04    1.04859e+03   -2.88548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38100e+03    1.04673e+05    2.80081e+05   -1.71930e+04   -2.15307e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20725e+04   -1.73300e+06    3.48490e+05   -1.38451e+06   -1.34929e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12756e+02   -2.12083e+02    3.58533e+01    3.84599e-06

           Step           Time
        4090000     8180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35339e+03    1.83194e+04    1.23001e+04    1.15520e+03   -2.86968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40994e+03    1.04622e+05    2.79501e+05   -1.72078e+04   -2.15146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22367e+04   -1.73164e+06    3.49910e+05   -1.38173e+06   -1.34925e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14031e+02   -2.12448e+02    1.72979e+01    4.01150e-06

           Step           Time
        4095000     8190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51780e+03    1.81976e+04    1.23304e+04    1.07784e+03   -2.79292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46535e+03    1.04249e+05    2.79137e+05   -1.71656e+04   -2.14861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19447e+04   -1.72965e+06    3.48191e+05   -1.38146e+06   -1.34923e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12488e+02   -2.11409e+02    6.93861e+00    3.97064e-06

           Step           Time
        4100000     8200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55874e+03    1.82790e+04    1.25677e+04    1.11669e+03   -2.80146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41135e+03    1.04175e+05    2.79177e+05   -1.71945e+04   -2.14936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21156e+04   -1.72996e+06    3.48114e+05   -1.38184e+06   -1.34918e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12419e+02   -2.12119e+02   -2.17772e+01    3.96294e-06

           Step           Time
        4105000     8210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36923e+03    1.85097e+04    1.25405e+04    1.07809e+03   -2.77227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58445e+03    1.04315e+05    2.78858e+05   -1.71721e+04   -2.14988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20731e+04   -1.73049e+06    3.48953e+05   -1.38154e+06   -1.34916e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13172e+02   -2.11569e+02    3.90931e+01    3.95902e-06

           Step           Time
        4110000     8220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58934e+03    1.83134e+04    1.26651e+04    1.11416e+03   -2.85665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47166e+03    1.04285e+05    2.79732e+05   -1.71706e+04   -2.14813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23138e+04   -1.72767e+06    3.47401e+05   -1.38027e+06   -1.34908e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11779e+02   -2.11530e+02    3.33869e+01    3.88611e-06

           Step           Time
        4115000     8230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51461e+03    1.78700e+04    1.25060e+04    1.09826e+03   -2.79434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48485e+03    1.04229e+05    2.78173e+05   -1.71426e+04   -2.14639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21961e+04   -1.72825e+06    3.48862e+05   -1.37939e+06   -1.34913e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13090e+02   -2.10843e+02   -3.12215e+01    3.92808e-06

           Step           Time
        4120000     8240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62099e+03    1.82355e+04    1.23333e+04    1.11081e+03   -2.71954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51513e+03    1.04170e+05    2.79999e+05   -1.71959e+04   -2.14948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21566e+04   -1.72925e+06    3.49541e+05   -1.37971e+06   -1.34908e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13699e+02   -2.12155e+02    5.87345e+01    3.97239e-06

           Step           Time
        4125000     8250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74712e+03    1.84011e+04    1.23992e+04    1.07409e+03   -2.72080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42676e+03    1.04263e+05    2.80032e+05   -1.71436e+04   -2.14841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20680e+04   -1.72787e+06    3.48842e+05   -1.37902e+06   -1.34903e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13072e+02   -2.10869e+02    3.02385e+00    3.87540e-06

           Step           Time
        4130000     8260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43028e+03    1.84349e+04    1.23353e+04    1.08789e+03   -2.69291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47751e+03    1.04050e+05    2.79564e+05   -1.71628e+04   -2.14964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20516e+04   -1.73007e+06    3.48049e+05   -1.38202e+06   -1.34902e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12360e+02   -2.11340e+02    2.06490e+01    4.02886e-06

           Step           Time
        4135000     8270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44742e+03    1.80789e+04    1.24889e+04    1.07655e+03   -2.75694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53175e+03    1.04368e+05    2.79000e+05   -1.72067e+04   -2.15190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19279e+04   -1.73295e+06    3.48664e+05   -1.38428e+06   -1.34899e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12912e+02   -2.12422e+02    8.42424e+00    3.97684e-06

           Step           Time
        4140000     8280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52333e+03    1.84148e+04    1.25843e+04    1.03002e+03   -2.87947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51192e+03    1.03951e+05    2.81464e+05   -1.71558e+04   -2.15107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22360e+04   -1.72939e+06    3.49996e+05   -1.37940e+06   -1.34895e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14108e+02   -2.11167e+02    7.98849e+01    3.96604e-06

           Step           Time
        4145000     8290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43202e+03    1.82194e+04    1.21300e+04    1.13891e+03   -2.82035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50121e+03    1.04556e+05    2.79660e+05   -1.72115e+04   -2.15136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21941e+04   -1.73156e+06    3.49331e+05   -1.38223e+06   -1.34893e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13511e+02   -2.12538e+02    6.19589e+01    4.14645e-06

           Step           Time
        4150000     8300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44178e+03    1.81725e+04    1.24898e+04    1.11866e+03   -2.82739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56383e+03    1.04243e+05    2.79202e+05   -1.72254e+04   -2.15291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21009e+04   -1.73363e+06    3.49491e+05   -1.38414e+06   -1.34884e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13654e+02   -2.12881e+02    2.63098e+01    3.98520e-06

           Step           Time
        4155000     8310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88968e+03    1.78558e+04    1.25041e+04    1.09845e+03   -3.02628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38668e+03    1.03928e+05    2.77042e+05   -1.71325e+04   -2.14520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22802e+04   -1.72837e+06    3.48038e+05   -1.38033e+06   -1.34889e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12350e+02   -2.10594e+02   -1.52072e+02    4.06096e-06

           Step           Time
        4160000     8320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80687e+03    1.80500e+04    1.24376e+04    1.10017e+03   -2.80167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52716e+03    1.04526e+05    2.75588e+05   -1.71538e+04   -2.14440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21915e+04   -1.72813e+06    3.47523e+05   -1.38060e+06   -1.34880e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11888e+02   -2.11118e+02   -1.40115e+02    4.03919e-06

           Step           Time
        4165000     8330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81377e+03    1.80384e+04    1.21949e+04    1.04737e+03   -2.78513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42372e+03    1.03719e+05    2.81284e+05   -1.71753e+04   -2.15174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20800e+04   -1.73110e+06    3.48551e+05   -1.38255e+06   -1.34883e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12811e+02   -2.11646e+02   -1.05403e+01    3.96646e-06

           Step           Time
        4170000     8340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60635e+03    1.79703e+04    1.26177e+04    1.26235e+03   -2.79250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52377e+03    1.04320e+05    2.78973e+05   -1.71990e+04   -2.14818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18967e+04   -1.72900e+06    3.50102e+05   -1.37890e+06   -1.34880e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14203e+02   -2.12232e+02    5.67840e+01    3.85946e-06

           Step           Time
        4175000     8350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63679e+03    1.81672e+04    1.24242e+04    1.11364e+03   -2.80791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47488e+03    1.03620e+05    2.80389e+05   -1.71496e+04   -2.14987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20291e+04   -1.72998e+06    3.48888e+05   -1.38109e+06   -1.34873e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13114e+02   -2.11014e+02    5.74065e+01    3.92150e-06

           Step           Time
        4180000     8360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76471e+03    1.84304e+04    1.23183e+04    1.05058e+03   -2.82821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41043e+03    1.04216e+05    2.76926e+05   -1.71748e+04   -2.14678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22202e+04   -1.72945e+06    3.49586e+05   -1.37986e+06   -1.34865e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13739e+02   -2.11635e+02   -7.56115e+01    3.85383e-06

           Step           Time
        4185000     8370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76019e+03    1.81557e+04    1.22356e+04    1.12576e+03   -2.80540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53495e+03    1.04412e+05    2.79980e+05   -1.71940e+04   -2.15036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22187e+04   -1.72994e+06    3.48782e+05   -1.38116e+06   -1.34861e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13019e+02   -2.12107e+02    1.26203e+02    3.98528e-06

           Step           Time
        4190000     8380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56956e+03    1.83170e+04    1.23666e+04    1.13990e+03   -2.75361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51905e+03    1.04133e+05    2.77248e+05   -1.71568e+04   -2.14295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22319e+04   -1.72534e+06    3.48372e+05   -1.37697e+06   -1.34863e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12650e+02   -2.11192e+02   -3.76919e+01    3.97439e-06

           Step           Time
        4195000     8390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58473e+03    1.82754e+04    1.23108e+04    1.12555e+03   -2.85051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43980e+03    1.04244e+05    2.80249e+05   -1.71804e+04   -2.15034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21007e+04   -1.73004e+06    3.48926e+05   -1.38111e+06   -1.34861e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13148e+02   -2.11772e+02    1.22048e+01    3.87112e-06

           Step           Time
        4200000     8400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65315e+03    1.84040e+04    1.25092e+04    1.05699e+03   -2.89483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51076e+03    1.04130e+05    2.79548e+05   -1.71867e+04   -2.14918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20240e+04   -1.72943e+06    3.48754e+05   -1.38067e+06   -1.34855e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12993e+02   -2.11927e+02    7.84860e+00    3.89885e-06

           Step           Time
        4205000     8410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63418e+03    1.79792e+04    1.23168e+04    1.09922e+03   -2.76207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52905e+03    1.03991e+05    2.78670e+05   -1.71557e+04   -2.14705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21385e+04   -1.72861e+06    3.46957e+05   -1.38165e+06   -1.34854e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11380e+02   -2.11165e+02   -2.43141e+01    4.02217e-06

           Step           Time
        4210000     8420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70100e+03    1.85156e+04    1.25819e+04    1.08898e+03   -2.87081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55823e+03    1.04015e+05    2.81408e+05   -1.71490e+04   -2.15047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19856e+04   -1.72864e+06    3.49057e+05   -1.37958e+06   -1.34847e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13265e+02   -2.11000e+02    8.47589e+01    3.88660e-06

           Step           Time
        4215000     8430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54486e+03    1.80263e+04    1.25138e+04    1.13854e+03   -3.01069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46050e+03    1.04275e+05    2.80119e+05   -1.71611e+04   -2.15125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21848e+04   -1.73116e+06    3.49777e+05   -1.38138e+06   -1.34852e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13911e+02   -2.11297e+02    2.47240e+01    3.91370e-06

           Step           Time
        4220000     8440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55729e+03    1.85353e+04    1.24593e+04    1.11217e+03   -2.77374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62766e+03    1.04044e+05    2.78670e+05   -1.71620e+04   -2.14588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21593e+04   -1.72665e+06    3.50819e+05   -1.37583e+06   -1.34845e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14846e+02   -2.11319e+02    9.29081e+01    4.02434e-06

           Step           Time
        4225000     8450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80374e+03    1.81804e+04    1.24222e+04    1.06573e+03   -2.86827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44604e+03    1.04286e+05    2.78025e+05   -1.71140e+04   -2.14714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20121e+04   -1.72888e+06    3.48771e+05   -1.38011e+06   -1.34841e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13008e+02   -2.10140e+02   -1.59073e+02    3.98410e-06

           Step           Time
        4230000     8460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50385e+03    1.80264e+04    1.25055e+04    1.16317e+03   -2.81673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59491e+03    1.04689e+05    2.78298e+05   -1.71850e+04   -2.14740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22843e+04   -1.72833e+06    3.48750e+05   -1.37958e+06   -1.34839e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12989e+02   -2.11885e+02    7.24115e+01    4.05752e-06

           Step           Time
        4235000     8470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42099e+03    1.82304e+04    1.26029e+04    1.05458e+03   -2.82006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50650e+03    1.04272e+05    2.77200e+05   -1.71766e+04   -2.14801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21209e+04   -1.73059e+06    3.48096e+05   -1.38250e+06   -1.34836e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12403e+02   -2.11678e+02   -1.05956e+02    3.92104e-06

           Step           Time
        4240000     8480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79558e+03    1.82402e+04    1.22980e+04    1.07542e+03   -2.77702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46626e+03    1.04273e+05    2.80619e+05   -1.71343e+04   -2.15013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21627e+04   -1.72911e+06    3.48421e+05   -1.38069e+06   -1.34830e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12694e+02   -2.10639e+02    1.91393e+01    3.90678e-06

           Step           Time
        4245000     8490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78285e+03    1.84144e+04    1.23130e+04    1.06239e+03   -2.81494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46006e+03    1.04498e+05    2.79826e+05   -1.71744e+04   -2.14979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21123e+04   -1.72931e+06    3.50189e+05   -1.37912e+06   -1.34829e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14281e+02   -2.11626e+02    2.83800e+01    4.15725e-06

           Step           Time
        4250000     8500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65731e+03    1.85309e+04    1.22349e+04    1.14768e+03   -2.77582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36660e+03    1.04280e+05    2.81821e+05   -1.71862e+04   -2.15200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20075e+04   -1.72991e+06    3.49698e+05   -1.38022e+06   -1.34828e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13840e+02   -2.11915e+02    1.08660e+02    4.06847e-06

           Step           Time
        4255000     8510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56589e+03    1.83532e+04    1.24204e+04    1.09953e+03   -2.75118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46672e+03    1.04087e+05    2.79303e+05   -1.71734e+04   -2.14883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20421e+04   -1.72942e+06    3.47152e+05   -1.38226e+06   -1.34824e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11556e+02   -2.11599e+02    6.45465e+01    4.09264e-06

           Step           Time
        4260000     8520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63416e+03    1.82165e+04    1.24804e+04    1.07238e+03   -2.84816e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47457e+03    1.04746e+05    2.80361e+05   -1.71691e+04   -2.15021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22495e+04   -1.72899e+06    3.48838e+05   -1.38016e+06   -1.34824e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13069e+02   -2.11495e+02    3.23310e+01    4.16644e-06

           Step           Time
        4265000     8530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36338e+03    1.83791e+04    1.24573e+04    1.10061e+03   -2.87201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46259e+03    1.04865e+05    2.77384e+05   -1.71269e+04   -2.14642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21311e+04   -1.72827e+06    3.48249e+05   -1.38002e+06   -1.34817e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12540e+02   -2.10457e+02   -8.76458e+01    4.05106e-06

           Step           Time
        4270000     8540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74452e+03    1.81044e+04    1.24031e+04    1.07846e+03   -2.83442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35838e+03    1.04521e+05    2.76707e+05   -1.71571e+04   -2.14569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21900e+04   -1.72857e+06    3.48025e+05   -1.38055e+06   -1.34815e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12339e+02   -2.11199e+02   -1.46118e+02    3.90296e-06

           Step           Time
        4275000     8550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54876e+03    1.85891e+04    1.24681e+04    1.09056e+03   -2.81042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42589e+03    1.04559e+05    2.78762e+05   -1.71575e+04   -2.14830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22951e+04   -1.72853e+06    3.49886e+05   -1.37864e+06   -1.34811e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14009e+02   -2.11208e+02   -5.36738e+01    3.80880e-06

           Step           Time
        4280000     8560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52340e+03    1.83953e+04    1.22668e+04    1.05378e+03   -2.76700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55403e+03    1.04294e+05    2.82650e+05   -1.71642e+04   -2.15298e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19459e+04   -1.73022e+06    3.47149e+05   -1.38307e+06   -1.34807e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11553e+02   -2.11375e+02    1.61833e+02    3.96282e-06

           Step           Time
        4285000     8570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43184e+03    1.82541e+04    1.24764e+04    1.09275e+03   -2.96811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53368e+03    1.04714e+05    2.78184e+05   -1.71549e+04   -2.14772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21049e+04   -1.72906e+06    3.48041e+05   -1.38101e+06   -1.34807e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12353e+02   -2.11145e+02   -5.04864e+01    4.11752e-06

           Step           Time
        4290000     8580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49058e+03    1.80471e+04    1.24681e+04    1.01326e+03   -2.84297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60163e+03    1.04581e+05    2.80832e+05   -1.71417e+04   -2.15080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20535e+04   -1.72970e+06    3.49183e+05   -1.38052e+06   -1.34805e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13379e+02   -2.10821e+02    3.95802e+01    3.91111e-06

           Step           Time
        4295000     8590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46350e+03    1.83923e+04    1.25120e+04    1.13030e+03   -2.78801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38576e+03    1.04292e+05    2.80024e+05   -1.71397e+04   -2.14946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22034e+04   -1.72899e+06    3.47623e+05   -1.38137e+06   -1.34800e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11978e+02   -2.10772e+02   -2.08696e+01    3.91700e-06

           Step           Time
        4300000     8600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68342e+03    1.85635e+04    1.23663e+04    1.08687e+03   -2.81936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46234e+03    1.04327e+05    2.81825e+05   -1.71704e+04   -2.15140e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21004e+04   -1.72898e+06    3.49195e+05   -1.37978e+06   -1.34795e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13389e+02   -2.11527e+02    9.05569e+01    3.93068e-06

           Step           Time
        4305000     8610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68867e+03    1.80592e+04    1.22775e+04    1.08529e+03   -2.91883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53175e+03    1.04430e+05    2.78562e+05   -1.71613e+04   -2.14760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21336e+04   -1.72892e+06    3.49555e+05   -1.37936e+06   -1.34798e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13712e+02   -2.11303e+02    4.85375e+00    3.97015e-06

           Step           Time
        4310000     8620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64810e+03    1.81450e+04    1.24195e+04    1.08522e+03   -2.79607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40915e+03    1.04077e+05    2.78019e+05   -1.71709e+04   -2.14770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22962e+04   -1.72957e+06    3.48379e+05   -1.38119e+06   -1.34796e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12656e+02   -2.11538e+02   -8.41443e+01    4.19837e-06

           Step           Time
        4315000     8630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57893e+03    1.80737e+04    1.21855e+04    1.16391e+03   -2.72938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46954e+03    1.04212e+05    2.81375e+05   -1.71859e+04   -2.15195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20186e+04   -1.73079e+06    3.47959e+05   -1.38283e+06   -1.34792e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12280e+02   -2.11909e+02    1.32217e+02    4.07695e-06

           Step           Time
        4320000     8640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56718e+03    1.83217e+04    1.23223e+04    1.12073e+03   -2.76221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48650e+03    1.04146e+05    2.79163e+05   -1.71950e+04   -2.14962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20959e+04   -1.73036e+06    3.48182e+05   -1.38218e+06   -1.34792e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12480e+02   -2.12133e+02    5.12633e+01    4.12048e-06

           Step           Time
        4325000     8650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70721e+03    1.80795e+04    1.22909e+04    1.10965e+03   -2.76294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32889e+03    1.04341e+05    2.78290e+05   -1.71295e+04   -2.14634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22712e+04   -1.72781e+06    3.48784e+05   -1.37903e+06   -1.34788e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13020e+02   -2.10522e+02   -1.12519e+02    4.20412e-06

           Step           Time
        4330000     8660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62231e+03    1.81233e+04    1.25265e+04    1.13262e+03   -2.86935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45177e+03    1.04182e+05    2.79801e+05   -1.71890e+04   -2.15020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20902e+04   -1.73033e+06    3.48740e+05   -1.38159e+06   -1.34782e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12981e+02   -2.11985e+02    3.34104e+01    4.03580e-06

           Step           Time
        4335000     8670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44137e+03    1.84073e+04    1.24903e+04    1.09495e+03   -2.89519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44547e+03    1.05127e+05    2.78142e+05   -1.71571e+04   -2.14662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22776e+04   -1.72724e+06    3.49231e+05   -1.37801e+06   -1.34779e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13422e+02   -2.11200e+02   -3.37701e+00    4.02213e-06

           Step           Time
        4340000     8680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56009e+03    1.81335e+04    1.24323e+04    1.12199e+03   -2.82174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53383e+03    1.04875e+05    2.79638e+05   -1.71514e+04   -2.15015e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22416e+04   -1.72959e+06    3.48455e+05   -1.38113e+06   -1.34772e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12725e+02   -2.11059e+02   -2.28412e+01    3.98315e-06

           Step           Time
        4345000     8690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78833e+03    1.87069e+04    1.24798e+04    1.18568e+03   -2.85979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37220e+03    1.04118e+05    2.78742e+05   -1.71822e+04   -2.15026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23277e+04   -1.73058e+06    3.48754e+05   -1.38183e+06   -1.34765e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12993e+02   -2.11816e+02   -1.03226e+02    3.99850e-06

           Step           Time
        4350000     8700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50738e+03    1.85683e+04    1.24194e+04    1.09889e+03   -2.79796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41192e+03    1.04454e+05    2.78699e+05   -1.71586e+04   -2.14966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19887e+04   -1.73046e+06    3.49592e+05   -1.38087e+06   -1.34765e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13745e+02   -2.11236e+02   -8.13999e+01    3.92037e-06

           Step           Time
        4355000     8710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60622e+03    1.84635e+04    1.23672e+04    1.10128e+03   -2.80781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46332e+03    1.04449e+05    2.80253e+05   -1.72031e+04   -2.15118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20599e+04   -1.73043e+06    3.49756e+05   -1.38067e+06   -1.34764e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13892e+02   -2.12331e+02    7.56319e+01    4.05394e-06

           Step           Time
        4360000     8720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56121e+03    1.83134e+04    1.24980e+04    1.11049e+03   -2.84393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47585e+03    1.04633e+05    2.76386e+05   -1.71903e+04   -2.14794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19384e+04   -1.73105e+06    3.46668e+05   -1.38439e+06   -1.34758e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11121e+02   -2.12017e+02   -1.28360e+02    3.99808e-06

           Step           Time
        4365000     8730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57310e+03    1.81854e+04    1.24697e+04    1.10367e+03   -2.92259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59417e+03    1.04432e+05    2.77781e+05   -1.71302e+04   -2.14624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22871e+04   -1.72787e+06    3.48943e+05   -1.37893e+06   -1.34757e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13163e+02   -2.10538e+02   -4.57183e+00    4.07086e-06

           Step           Time
        4370000     8740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44143e+03    1.87067e+04    1.25998e+04    1.11016e+03   -2.86735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45394e+03    1.04078e+05    2.77594e+05   -1.71381e+04   -2.14712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20531e+04   -1.72909e+06    3.48896e+05   -1.38019e+06   -1.34754e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13121e+02   -2.10733e+02   -7.78552e+01    4.08018e-06

           Step           Time
        4375000     8750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57215e+03    1.85029e+04    1.24236e+04    1.08177e+03   -2.87591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49395e+03    1.04514e+05    2.79087e+05   -1.71654e+04   -2.14972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21456e+04   -1.72994e+06    3.48230e+05   -1.38171e+06   -1.34748e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12523e+02   -2.11404e+02    4.15384e+00    3.92088e-06

           Step           Time
        4380000     8760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41216e+03    1.85078e+04    1.25708e+04    1.07834e+03   -2.83538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47137e+03    1.04829e+05    2.78917e+05   -1.71271e+04   -2.14843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21629e+04   -1.72845e+06    3.48635e+05   -1.37981e+06   -1.34746e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12886e+02   -2.10461e+02   -5.64651e+01    4.17171e-06

           Step           Time
        4385000     8770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48359e+03    1.82380e+04    1.23532e+04    1.04149e+03   -2.89423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40120e+03    1.04678e+05    2.79817e+05   -1.71853e+04   -2.15048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22496e+04   -1.73030e+06    3.50245e+05   -1.38005e+06   -1.34746e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14332e+02   -2.11893e+02    2.26997e+00    4.02004e-06

           Step           Time
        4390000     8780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45367e+03    1.83516e+04    1.23669e+04    1.07232e+03   -2.86199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54617e+03    1.04667e+05    2.79304e+05   -1.71886e+04   -2.14995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20524e+04   -1.73019e+06    3.50205e+05   -1.37998e+06   -1.34741e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14295e+02   -2.11974e+02    1.06667e+02    4.00306e-06

           Step           Time
        4395000     8790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41873e+03    1.80834e+04    1.23121e+04    1.13312e+03   -2.88577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56143e+03    1.04541e+05    2.79430e+05   -1.71651e+04   -2.14940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21481e+04   -1.72982e+06    3.48461e+05   -1.38136e+06   -1.34736e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12730e+02   -2.11395e+02   -3.15082e+00    3.94415e-06

           Step           Time
        4400000     8800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73648e+03    1.79229e+04    1.26010e+04    1.12568e+03   -2.83984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45179e+03    1.04040e+05    2.79652e+05   -1.71616e+04   -2.15181e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20352e+04   -1.73224e+06    3.47253e+05   -1.38499e+06   -1.34734e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11646e+02   -2.11310e+02   -3.80368e+01    3.86398e-06

           Step           Time
        4405000     8810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45771e+03    1.84122e+04    1.24712e+04    1.07847e+03   -2.85900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53618e+03    1.03994e+05    2.78558e+05   -1.71774e+04   -2.14724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22808e+04   -1.72848e+06    3.47987e+05   -1.38050e+06   -1.34734e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12305e+02   -2.11698e+02    1.79222e+01    4.03104e-06

           Step           Time
        4410000     8820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49932e+03    1.85196e+04    1.23719e+04    1.07266e+03   -2.75622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35924e+03    1.03962e+05    2.78518e+05   -1.71367e+04   -2.14795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20767e+04   -1.72947e+06    3.49175e+05   -1.38029e+06   -1.34729e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13371e+02   -2.10697e+02   -9.51733e+01    3.94935e-06

           Step           Time
        4415000     8830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62393e+03    1.79713e+04    1.23993e+04    1.14142e+03   -2.79434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56951e+03    1.04288e+05    2.81157e+05   -1.72121e+04   -2.15437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19959e+04   -1.73323e+06    3.49442e+05   -1.38379e+06   -1.34729e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13610e+02   -2.12554e+02    1.38620e+02    3.99069e-06

           Step           Time
        4420000     8840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49409e+03    1.80562e+04    1.24299e+04    9.79830e+02   -2.93771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56053e+03    1.04639e+05    2.78217e+05   -1.71656e+04   -2.14880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21701e+04   -1.73035e+06    3.47238e+05   -1.38312e+06   -1.34722e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11633e+02   -2.11407e+02   -7.17269e+01    3.93552e-06

           Step           Time
        4425000     8850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65193e+03    1.80328e+04    1.25758e+04    1.09187e+03   -2.80193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45993e+03    1.04234e+05    2.77227e+05   -1.71924e+04   -2.14552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21752e+04   -1.72807e+06    3.48605e+05   -1.37946e+06   -1.34722e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12860e+02   -2.12068e+02   -4.89248e+01    4.05731e-06

Writing checkpoint, step 4427200 at Thu Dec  7 06:27:56 2023


           Step           Time
        4430000     8860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70532e+03    1.80590e+04    1.23127e+04    1.06893e+03   -2.80723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57080e+03    1.03997e+05    2.79578e+05   -1.71394e+04   -2.15060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21773e+04   -1.73108e+06    3.47812e+05   -1.38327e+06   -1.34720e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12147e+02   -2.10765e+02   -2.58719e+01    3.79956e-06

           Step           Time
        4435000     8870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48284e+03    1.81803e+04    1.24042e+04    1.06587e+03   -2.92958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50357e+03    1.04012e+05    2.78307e+05   -1.71479e+04   -2.15080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21524e+04   -1.73276e+06    3.50061e+05   -1.38270e+06   -1.34718e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14166e+02   -2.10974e+02   -6.64754e+01    4.05561e-06

           Step           Time
        4440000     8880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69415e+03    1.80501e+04    1.25707e+04    1.15306e+03   -2.81173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56475e+03    1.04351e+05    2.78108e+05   -1.71368e+04   -2.14684e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22240e+04   -1.72807e+06    3.47305e+05   -1.38076e+06   -1.34713e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11693e+02   -2.10700e+02   -2.31466e+01    3.90223e-06

           Step           Time
        4445000     8890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46431e+03    1.82470e+04    1.23920e+04    1.08275e+03   -2.86804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43126e+03    1.03922e+05    2.81520e+05   -1.71599e+04   -2.15005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19721e+04   -1.72905e+06    3.48965e+05   -1.38008e+06   -1.34710e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13182e+02   -2.11268e+02    5.29097e+01    3.97562e-06

           Step           Time
        4450000     8900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57295e+03    1.77921e+04    1.23526e+04    1.10511e+03   -2.88772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57566e+03    1.04436e+05    2.79585e+05   -1.71451e+04   -2.15196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21061e+04   -1.73246e+06    3.49103e+05   -1.38336e+06   -1.34709e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13306e+02   -2.10904e+02    6.96967e+00    4.08589e-06

           Step           Time
        4455000     8910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82817e+03    1.85266e+04    1.22965e+04    1.03339e+03   -2.87449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43643e+03    1.03643e+05    2.79554e+05   -1.71722e+04   -2.15004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20965e+04   -1.73067e+06    3.47904e+05   -1.38277e+06   -1.34705e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12230e+02   -2.11570e+02   -3.93457e+01    3.91680e-06

           Step           Time
        4460000     8920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50680e+03    1.80666e+04    1.25287e+04    1.05582e+03   -3.02741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56861e+03    1.04077e+05    2.78933e+05   -1.71940e+04   -2.14842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21766e+04   -1.72972e+06    3.47826e+05   -1.38190e+06   -1.34704e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12160e+02   -2.12108e+02    2.99724e+01    4.03228e-06

           Step           Time
        4465000     8930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51637e+03    1.84306e+04    1.24159e+04    1.06119e+03   -2.85778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48234e+03    1.04194e+05    2.78162e+05   -1.71474e+04   -2.14749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21157e+04   -1.72912e+06    3.49422e+05   -1.37970e+06   -1.34702e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13592e+02   -2.10962e+02   -6.50978e+01    3.94951e-06

           Step           Time
        4470000     8940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71016e+03    1.83361e+04    1.24351e+04    1.04648e+03   -2.82916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37585e+03    1.03739e+05    2.79623e+05   -1.71669e+04   -2.14874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20748e+04   -1.72939e+06    3.48565e+05   -1.38083e+06   -1.34697e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12824e+02   -2.11439e+02   -3.89281e+01    3.88087e-06

           Step           Time
        4475000     8950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24847e+03    1.76925e+04    1.26580e+04    1.13059e+03   -2.95646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54104e+03    1.04490e+05    2.79762e+05   -1.71698e+04   -2.15212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19638e+04   -1.73276e+06    3.47324e+05   -1.38543e+06   -1.34696e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11710e+02   -2.11512e+02   -1.17861e+01    3.91368e-06

           Step           Time
        4480000     8960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71651e+03    1.84925e+04    1.23927e+04    1.12075e+03   -2.87008e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58823e+03    1.04016e+05    2.77462e+05   -1.71345e+04   -2.14628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22778e+04   -1.72822e+06    3.50773e+05   -1.37745e+06   -1.34689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14805e+02   -2.10644e+02   -8.00794e+01    4.10592e-06

           Step           Time
        4485000     8970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62015e+03    1.80709e+04    1.22041e+04    1.06985e+03   -2.70174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49929e+03    1.04104e+05    2.79335e+05   -1.71653e+04   -2.14875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20813e+04   -1.72964e+06    3.49871e+05   -1.37976e+06   -1.34690e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13996e+02   -2.11400e+02    1.23798e+01    3.94269e-06

           Step           Time
        4490000     8980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40446e+03    1.85141e+04    1.25688e+04    1.14169e+03   -2.80472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45053e+03    1.04217e+05    2.76509e+05   -1.71539e+04   -2.14361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21751e+04   -1.72659e+06    3.49845e+05   -1.37674e+06   -1.34689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13973e+02   -2.11121e+02   -7.07132e+01    4.08202e-06

           Step           Time
        4495000     8990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44512e+03    1.86506e+04    1.24732e+04    1.09355e+03   -2.77055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61351e+03    1.04129e+05    2.75053e+05   -1.71487e+04   -2.14204e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20570e+04   -1.72644e+06    3.48757e+05   -1.37769e+06   -1.34687e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12996e+02   -2.10993e+02   -6.60775e+01    3.91341e-06

           Step           Time
        4500000     9000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44884e+03    1.86794e+04    1.23578e+04    1.15681e+03   -2.79926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45067e+03    1.04932e+05    2.78170e+05   -1.71397e+04   -2.14640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22875e+04   -1.72685e+06    3.48864e+05   -1.37799e+06   -1.34680e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13092e+02   -2.10772e+02   -8.78909e+00    3.83418e-06

           Step           Time
        4505000     9010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49458e+03    1.83123e+04    1.24832e+04    1.11698e+03   -2.91609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48569e+03    1.04228e+05    2.77812e+05   -1.71824e+04   -2.15120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21596e+04   -1.73321e+06    3.49402e+05   -1.38381e+06   -1.34678e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13575e+02   -2.11821e+02   -9.20482e+01    3.83716e-06

           Step           Time
        4510000     9020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68408e+03    1.83009e+04    1.24183e+04    1.04128e+03   -2.82299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57403e+03    1.03797e+05    2.82459e+05   -1.72048e+04   -2.15491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21442e+04   -1.73252e+06    3.47766e+05   -1.38475e+06   -1.34668e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12107e+02   -2.12374e+02    1.36511e+02    3.98172e-06

           Step           Time
        4515000     9030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45367e+03    1.81898e+04    1.23716e+04    1.13899e+03   -2.89689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48273e+03    1.03922e+05    2.79881e+05   -1.71688e+04   -2.15113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21599e+04   -1.73160e+06    3.48168e+05   -1.38343e+06   -1.34672e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12467e+02   -2.11486e+02    5.82665e+00    4.00497e-06

           Step           Time
        4520000     9040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55103e+03    1.79985e+04    1.26113e+04    1.06937e+03   -2.83920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49845e+03    1.04035e+05    2.78452e+05   -1.71715e+04   -2.14856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23044e+04   -1.73005e+06    3.48246e+05   -1.38181e+06   -1.34668e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12537e+02   -2.11553e+02    1.46814e+00    4.20215e-06

           Step           Time
        4525000     9050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85626e+03    1.85629e+04    1.24686e+04    1.10911e+03   -2.86364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48734e+03    1.03577e+05    2.77244e+05   -1.71731e+04   -2.14574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20383e+04   -1.72843e+06    3.48750e+05   -1.37968e+06   -1.34660e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12990e+02   -2.11593e+02   -1.58958e+02    3.93632e-06

           Step           Time
        4530000     9060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65280e+03    1.85228e+04    1.23298e+04    1.02859e+03   -2.75746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49814e+03    1.04076e+05    2.81696e+05   -1.71525e+04   -2.15110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22798e+04   -1.72893e+06    3.47452e+05   -1.38147e+06   -1.34653e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11825e+02   -2.11087e+02    1.00553e+02    3.78441e-06

           Step           Time
        4535000     9070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56203e+03    1.80534e+04    1.24506e+04    1.02019e+03   -2.86576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55985e+03    1.04187e+05    2.78561e+05   -1.71696e+04   -2.14927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20810e+04   -1.73083e+06    3.48876e+05   -1.38196e+06   -1.34655e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13103e+02   -2.11506e+02   -2.54884e+01    4.05544e-06

           Step           Time
        4540000     9080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57269e+03    1.83288e+04    1.24732e+04    1.20110e+03   -2.85647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46820e+03    1.04185e+05    2.75200e+05   -1.71271e+04   -2.14386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20174e+04   -1.72840e+06    3.48187e+05   -1.38021e+06   -1.34651e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12484e+02   -2.10462e+02   -1.10822e+02    4.02082e-06

           Step           Time
        4545000     9090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45882e+03    1.83273e+04    1.24173e+04    1.09032e+03   -2.78479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48193e+03    1.04634e+05    2.77703e+05   -1.71703e+04   -2.14760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19655e+04   -1.72948e+06    3.48804e+05   -1.38067e+06   -1.34650e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13038e+02   -2.11523e+02   -7.46994e+01    3.92956e-06

           Step           Time
        4550000     9100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64664e+03    1.84074e+04    1.25606e+04    9.95189e+02   -2.78628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42284e+03    1.03981e+05    2.79994e+05   -1.71775e+04   -2.15313e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19420e+04   -1.73315e+06    3.49773e+05   -1.38337e+06   -1.34647e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13908e+02   -2.11700e+02   -4.51310e+01    3.94489e-06

           Step           Time
        4555000     9110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23409e+03    1.82952e+04    1.23219e+04    1.09722e+03   -2.79499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57958e+03    1.04477e+05    2.80559e+05   -1.71445e+04   -2.15190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21022e+04   -1.73117e+06    3.49536e+05   -1.38163e+06   -1.34644e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13695e+02   -2.10889e+02    3.62780e+01    3.99280e-06

           Step           Time
        4560000     9120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75307e+03    1.81819e+04    1.23312e+04    1.13067e+03   -2.82147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46665e+03    1.03317e+05    2.80445e+05   -1.71907e+04   -2.15187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22732e+04   -1.73198e+06    3.46589e+05   -1.38539e+06   -1.34641e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11051e+02   -2.12027e+02    2.36321e+00    3.96575e-06

           Step           Time
        4565000     9130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54592e+03    1.82867e+04    1.24115e+04    1.10902e+03   -2.78294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51235e+03    1.03938e+05    2.77305e+05   -1.71288e+04   -2.14485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20051e+04   -1.72765e+06    3.48053e+05   -1.37960e+06   -1.34641e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12364e+02   -2.10505e+02   -8.15801e+01    3.85306e-06

           Step           Time
        4570000     9140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64571e+03    1.80980e+04    1.25064e+04    1.16082e+03   -2.83152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58006e+03    1.03986e+05    2.80277e+05   -1.71646e+04   -2.15072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22037e+04   -1.73025e+06    3.48822e+05   -1.38143e+06   -1.34635e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13054e+02   -2.11385e+02   -6.34121e+00    4.41391e-06

           Step           Time
        4575000     9150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65415e+03    1.80802e+04    1.25272e+04    1.11973e+03   -2.80324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55352e+03    1.04359e+05    2.79076e+05   -1.71509e+04   -2.14766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20896e+04   -1.72816e+06    3.49208e+05   -1.37895e+06   -1.34635e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13401e+02   -2.11048e+02   -4.99440e+00    4.13319e-06

           Step           Time
        4580000     9160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61286e+03    1.85253e+04    1.24310e+04    1.14958e+03   -2.79002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45682e+03    1.03997e+05    2.77926e+05   -1.71756e+04   -2.14696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21638e+04   -1.72867e+06    3.49295e+05   -1.37937e+06   -1.34632e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13479e+02   -2.11653e+02   -4.70007e+01    4.01407e-06

           Step           Time
        4585000     9170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72766e+03    1.83961e+04    1.25312e+04    1.06542e+03   -2.84645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52540e+03    1.03368e+05    2.79393e+05   -1.71188e+04   -2.14766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21409e+04   -1.72847e+06    3.48711e+05   -1.37976e+06   -1.34627e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12954e+02   -2.10258e+02   -1.03109e+01    3.88421e-06

           Step           Time
        4590000     9180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43608e+03    1.86690e+04    1.24623e+04    1.11233e+03   -2.80835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43054e+03    1.04090e+05    2.79204e+05   -1.71719e+04   -2.14808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21914e+04   -1.72846e+06    3.49052e+05   -1.37941e+06   -1.34624e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13261e+02   -2.11563e+02    4.36185e+01    3.93133e-06

           Step           Time
        4595000     9190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60316e+03    1.84100e+04    1.22672e+04    1.07637e+03   -2.71431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63277e+03    1.04415e+05    2.78541e+05   -1.71544e+04   -2.14756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23220e+04   -1.72816e+06    3.49356e+05   -1.37881e+06   -1.34617e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13534e+02   -2.11132e+02   -1.40893e+01    4.10540e-06

           Step           Time
        4600000     9200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44158e+03    1.83691e+04    1.24537e+04    1.05269e+03   -2.72864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49324e+03    1.04403e+05    2.77641e+05   -1.71601e+04   -2.14728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21118e+04   -1.72920e+06    3.48339e+05   -1.38086e+06   -1.34617e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12621e+02   -2.11273e+02   -6.85060e+01    4.06241e-06

           Step           Time
        4605000     9210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81290e+03    1.84380e+04    1.23727e+04    1.13871e+03   -2.86143e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43992e+03    1.04007e+05    2.76043e+05   -1.71015e+04   -2.14158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21791e+04   -1.72511e+06    3.51149e+05   -1.37396e+06   -1.34616e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15142e+02   -2.09833e+02   -1.09422e+02    4.11969e-06

           Step           Time
        4610000     9220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56293e+03    1.79498e+04    1.23650e+04    1.02747e+03   -2.90204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53573e+03    1.04499e+05    2.78037e+05   -1.71520e+04   -2.14796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22648e+04   -1.72977e+06    3.47747e+05   -1.38203e+06   -1.34610e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12089e+02   -2.11074e+02   -6.02808e+01    3.98289e-06

           Step           Time
        4615000     9230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53816e+03    1.81056e+04    1.23475e+04    1.10722e+03   -2.82351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53898e+03    1.04652e+05    2.81362e+05   -1.71635e+04   -2.15356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22087e+04   -1.73169e+06    3.49577e+05   -1.38211e+06   -1.34605e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13732e+02   -2.11357e+02    9.15974e+01    4.07665e-06

           Step           Time
        4620000     9240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52549e+03    1.82815e+04    1.24176e+04    1.18242e+03   -2.97318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51272e+03    1.04421e+05    2.79422e+05   -1.72092e+04   -2.15090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20506e+04   -1.73127e+06    3.48887e+05   -1.38238e+06   -1.34600e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13112e+02   -2.12482e+02    1.18734e+02    3.91345e-06

           Step           Time
        4625000     9250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40408e+03    1.82489e+04    1.22938e+04    1.06373e+03   -2.90912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46098e+03    1.04143e+05    2.78208e+05   -1.72059e+04   -2.15010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20158e+04   -1.73238e+06    3.48172e+05   -1.38421e+06   -1.34595e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12471e+02   -2.12402e+02   -2.12828e+01    3.99851e-06

           Step           Time
        4630000     9260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51603e+03    1.81679e+04    1.23031e+04    1.05481e+03   -2.91499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35596e+03    1.04703e+05    2.76597e+05   -1.71512e+04   -2.14587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20525e+04   -1.72918e+06    3.48207e+05   -1.38098e+06   -1.34594e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12503e+02   -2.11054e+02   -7.28448e+01    3.94127e-06

           Step           Time
        4635000     9270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55837e+03    1.85125e+04    1.24025e+04    1.10884e+03   -2.80477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52565e+03    1.04422e+05    2.77010e+05   -1.71272e+04   -2.14486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21566e+04   -1.72709e+06    3.49665e+05   -1.37743e+06   -1.34590e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13811e+02   -2.10464e+02   -5.70748e+01    4.07223e-06

           Step           Time
        4640000     9280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44412e+03    1.84368e+04    1.23605e+04    1.15506e+03   -2.92891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40812e+03    1.04304e+05    2.81295e+05   -1.71535e+04   -2.15226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20938e+04   -1.73085e+06    3.49313e+05   -1.38154e+06   -1.34586e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13495e+02   -2.11110e+02    2.73059e+01    4.05385e-06

           Step           Time
        4645000     9290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69046e+03    1.82637e+04    1.25233e+04    1.13251e+03   -2.81049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43300e+03    1.04021e+05    2.77245e+05   -1.71485e+04   -2.14577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21913e+04   -1.72823e+06    3.47761e+05   -1.38047e+06   -1.34587e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12102e+02   -2.10988e+02   -8.37243e+01    4.12303e-06

           Step           Time
        4650000     9300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71278e+03    1.80655e+04    1.23368e+04    1.01005e+03   -2.77959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62580e+03    1.04041e+05    2.80673e+05   -1.71836e+04   -2.15062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22080e+04   -1.72991e+06    3.47976e+05   -1.38194e+06   -1.34578e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12295e+02   -2.11851e+02    6.05210e+01    3.93334e-06

           Step           Time
        4655000     9310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52706e+03    1.88067e+04    1.23002e+04    1.10495e+03   -2.78074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55595e+03    1.03955e+05    2.79658e+05   -1.71404e+04   -2.14871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21551e+04   -1.72857e+06    3.49544e+05   -1.37903e+06   -1.34579e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13702e+02   -2.10788e+02    3.90461e+01    3.91677e-06

           Step           Time
        4660000     9320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65190e+03    1.84855e+04    1.23386e+04    1.10321e+03   -2.86215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41156e+03    1.03924e+05    2.77216e+05   -1.71251e+04   -2.14448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21320e+04   -1.72720e+06    3.49278e+05   -1.37792e+06   -1.34577e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13464e+02   -2.10414e+02   -1.20782e+02    4.01263e-06

           Step           Time
        4665000     9330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51318e+03    1.82665e+04    1.24100e+04    1.14924e+03   -2.79563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49320e+03    1.04577e+05    2.78564e+05   -1.71637e+04   -2.14734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22300e+04   -1.72810e+06    3.50227e+05   -1.37787e+06   -1.34573e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14315e+02   -2.11361e+02   -1.27586e+01    4.06853e-06

           Step           Time
        4670000     9340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36763e+03    1.84493e+04    1.23287e+04    1.08203e+03   -2.81613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63999e+03    1.03766e+05    2.79157e+05   -1.71291e+04   -2.14784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20088e+04   -1.72899e+06    3.50174e+05   -1.37882e+06   -1.34571e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14267e+02   -2.10512e+02    5.00169e+01    3.95712e-06

           Step           Time
        4675000     9350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61843e+03    1.84880e+04    1.23808e+04    1.03206e+03   -2.82417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51119e+03    1.03953e+05    2.79250e+05   -1.71697e+04   -2.14953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21607e+04   -1.73013e+06    3.47910e+05   -1.38222e+06   -1.34564e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12235e+02   -2.11509e+02   -3.03495e+01    3.98511e-06

           Step           Time
        4680000     9360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95450e+03    1.82661e+04    1.24801e+04    1.05500e+03   -2.85445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54336e+03    1.03722e+05    2.79357e+05   -1.71481e+04   -2.14938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21027e+04   -1.72990e+06    3.49861e+05   -1.38004e+06   -1.34559e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13986e+02   -2.10979e+02   -5.07701e+01    3.93500e-06

           Step           Time
        4685000     9370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42302e+03    1.83018e+04    1.25198e+04    1.08020e+03   -2.92345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53846e+03    1.04268e+05    2.81676e+05   -1.71875e+04   -2.15430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20135e+04   -1.73259e+06    3.49390e+05   -1.38320e+06   -1.34558e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13564e+02   -2.11948e+02    9.91190e+01    3.96580e-06

           Step           Time
        4690000     9380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60305e+03    1.82649e+04    1.24218e+04    1.16238e+03   -2.84499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45577e+03    1.04230e+05    2.79853e+05   -1.71453e+04   -2.14904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19863e+04   -1.72905e+06    3.50196e+05   -1.37885e+06   -1.34560e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14288e+02   -2.10910e+02    2.89671e+01    3.96016e-06

           Step           Time
        4695000     9390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88108e+03    1.83698e+04    1.24420e+04    1.03277e+03   -2.90559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40440e+03    1.04035e+05    2.77189e+05   -1.71456e+04   -2.14383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22556e+04   -1.72627e+06    3.48780e+05   -1.37749e+06   -1.34552e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13017e+02   -2.10915e+02   -9.71091e+01    4.06008e-06

           Step           Time
        4700000     9400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56737e+03    1.81561e+04    1.23835e+04    1.06503e+03   -2.81380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58313e+03    1.03863e+05    2.80133e+05   -1.71879e+04   -2.14968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20977e+04   -1.72983e+06    3.47997e+05   -1.38184e+06   -1.34546e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12314e+02   -2.11957e+02    4.77124e+01    3.97415e-06

           Step           Time
        4705000     9410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70580e+03    1.82507e+04    1.26927e+04    1.15113e+03   -2.92188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56283e+03    1.03993e+05    2.77769e+05   -1.71141e+04   -2.14565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21247e+04   -1.72744e+06    3.49741e+05   -1.37769e+06   -1.34548e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13879e+02   -2.10144e+02   -6.29136e+01    3.89174e-06

           Step           Time
        4710000     9420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46837e+03    1.80798e+04    1.25614e+04    1.13976e+03   -2.84303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66013e+03    1.04156e+05    2.79953e+05   -1.71581e+04   -2.15106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20352e+04   -1.73101e+06    3.49524e+05   -1.38148e+06   -1.34539e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13684e+02   -2.11223e+02    3.78195e+01    3.88280e-06

           Step           Time
        4715000     9430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45946e+03    1.88900e+04    1.22930e+04    1.16962e+03   -2.92699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42873e+03    1.04076e+05    2.79063e+05   -1.71566e+04   -2.14862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21546e+04   -1.72917e+06    3.50145e+05   -1.37902e+06   -1.34539e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14242e+02   -2.11187e+02    3.39005e+01    4.02440e-06

           Step           Time
        4720000     9440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35662e+03    1.83134e+04    1.24024e+04    1.08498e+03   -2.80887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57908e+03    1.04107e+05    2.82349e+05   -1.71800e+04   -2.15177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22921e+04   -1.72927e+06    3.47976e+05   -1.38130e+06   -1.34534e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12295e+02   -2.11763e+02    2.61113e+02    3.90137e-06

           Step           Time
        4725000     9450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68362e+03    1.82728e+04    1.24928e+04    1.07488e+03   -2.92211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55551e+03    1.04083e+05    2.77386e+05   -1.71344e+04   -2.14614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23559e+04   -1.72829e+06    3.50199e+05   -1.37809e+06   -1.34537e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14290e+02   -2.10641e+02   -1.84533e+01    4.04972e-06

           Step           Time
        4730000     9460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40353e+03    1.82973e+04    1.24081e+04    1.10005e+03   -2.83023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50548e+03    1.04092e+05    2.77428e+05   -1.71628e+04   -2.14729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21368e+04   -1.72992e+06    3.46946e+05   -1.38297e+06   -1.34532e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.11339e+02    2.79592e+00    3.90751e-06

           Step           Time
        4735000     9470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58900e+03    1.82995e+04    1.22872e+04    1.06788e+03   -2.76220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42327e+03    1.03891e+05    2.79229e+05   -1.71389e+04   -2.14989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23293e+04   -1.73068e+06    3.47211e+05   -1.38347e+06   -1.34527e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11609e+02   -2.10753e+02   -9.28815e+01    4.00255e-06

           Step           Time
        4740000     9480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57124e+03    1.78864e+04    1.24603e+04    1.11926e+03   -2.79354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54235e+03    1.04264e+05    2.80079e+05   -1.71460e+04   -2.15000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21067e+04   -1.72991e+06    3.49030e+05   -1.38088e+06   -1.34527e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13241e+02   -2.10927e+02    3.78053e+01    4.00622e-06

           Step           Time
        4745000     9490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57285e+03    1.80710e+04    1.24590e+04    1.06730e+03   -2.84555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53724e+03    1.04118e+05    2.78775e+05   -1.71495e+04   -2.14943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22011e+04   -1.73062e+06    3.49227e+05   -1.38139e+06   -1.34525e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13418e+02   -2.11012e+02    2.39768e+00    3.90158e-06

           Step           Time
        4750000     9500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52117e+03    1.82458e+04    1.23156e+04    1.10938e+03   -2.73507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61056e+03    1.03930e+05    2.82747e+05   -1.72038e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21135e+04   -1.72983e+06    3.49354e+05   -1.38047e+06   -1.34519e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13532e+02   -2.12349e+02    1.97822e+02    3.93977e-06

           Step           Time
        4755000     9510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62441e+03    1.83186e+04    1.24452e+04    1.12530e+03   -2.87559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54815e+03    1.04068e+05    2.75885e+05   -1.71183e+04   -2.14384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22582e+04   -1.72756e+06    3.48320e+05   -1.37924e+06   -1.34512e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12603e+02   -2.10245e+02   -1.19529e+02    4.08213e-06

           Step           Time
        4760000     9520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42000e+03    1.78079e+04    1.24355e+04    1.12131e+03   -2.82386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47475e+03    1.04012e+05    2.81337e+05   -1.71565e+04   -2.15131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21296e+04   -1.73056e+06    3.47273e+05   -1.38328e+06   -1.34513e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11664e+02   -2.11185e+02    1.01032e+02    4.17184e-06

           Step           Time
        4765000     9530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64602e+03    1.83292e+04    1.24329e+04    1.04133e+03   -2.88255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56003e+03    1.03295e+05    2.80428e+05   -1.71729e+04   -2.14807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21987e+04   -1.72820e+06    3.47266e+05   -1.38093e+06   -1.34507e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11657e+02   -2.11588e+02    6.99555e+01    3.97739e-06

           Step           Time
        4770000     9540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41971e+03    1.81315e+04    1.23153e+04    1.06171e+03   -2.76773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55077e+03    1.04157e+05    2.79216e+05   -1.71457e+04   -2.14757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22061e+04   -1.72842e+06    3.49211e+05   -1.37921e+06   -1.34507e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13404e+02   -2.10918e+02    3.50658e+00    4.00333e-06

           Step           Time
        4775000     9550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31594e+03    1.81192e+04    1.22808e+04    1.14242e+03   -2.75772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57964e+03    1.03671e+05    2.79936e+05   -1.71192e+04   -2.15138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20131e+04   -1.73220e+06    3.47879e+05   -1.38432e+06   -1.34501e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12208e+02   -2.10268e+02    2.10456e+01    4.14069e-06

           Step           Time
        4780000     9560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63020e+03    1.82197e+04    1.23187e+04    1.16959e+03   -2.89551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34761e+03    1.03783e+05    2.81622e+05   -1.71429e+04   -2.15058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20729e+04   -1.72945e+06    3.49887e+05   -1.37957e+06   -1.34500e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14010e+02   -2.10850e+02   -3.48295e+01    4.05784e-06

           Step           Time
        4785000     9570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61536e+03    1.86535e+04    1.23455e+04    1.11074e+03   -2.85612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42834e+03    1.03702e+05    2.77597e+05   -1.71932e+04   -2.14699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21178e+04   -1.72946e+06    3.51148e+05   -1.37832e+06   -1.34494e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15142e+02   -2.12087e+02   -5.93951e+01    4.08618e-06

           Step           Time
        4790000     9580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46247e+03    1.81511e+04    1.25271e+04    1.07939e+03   -2.81356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52408e+03    1.03957e+05    2.80760e+05   -1.72311e+04   -2.15274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19678e+04   -1.73236e+06    3.49970e+05   -1.38239e+06   -1.34494e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14085e+02   -2.13021e+02    1.35880e+02    3.93286e-06

           Step           Time
        4795000     9590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52890e+03    1.84502e+04    1.25568e+04    1.12084e+03   -2.84504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66734e+03    1.03865e+05    2.78775e+05   -1.71614e+04   -2.15007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22433e+04   -1.73087e+06    3.48734e+05   -1.38213e+06   -1.34487e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12975e+02   -2.11304e+02   -4.97403e+01    3.98030e-06

           Step           Time
        4800000     9600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60891e+03    1.81658e+04    1.23223e+04    1.03181e+03   -2.74984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51522e+03    1.03937e+05    2.80568e+05   -1.71491e+04   -2.14991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21692e+04   -1.72949e+06    3.47993e+05   -1.38149e+06   -1.34484e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12310e+02   -2.11003e+02    4.13602e+01    4.23238e-06

           Step           Time
        4805000     9610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64652e+03    1.88136e+04    1.22833e+04    1.07887e+03   -2.93394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44787e+03    1.03781e+05    2.77176e+05   -1.71409e+04   -2.14793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19249e+04   -1.73085e+06    3.48530e+05   -1.38232e+06   -1.34479e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12792e+02   -2.10800e+02   -1.82651e+02    4.08695e-06

           Step           Time
        4810000     9620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38102e+03    1.80725e+04    1.25276e+04    1.12210e+03   -2.87986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46299e+03    1.04413e+05    2.78292e+05   -1.72134e+04   -2.15047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18138e+04   -1.73248e+06    3.48098e+05   -1.38438e+06   -1.34480e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12404e+02   -2.12585e+02   -2.39903e+01    3.99308e-06

           Step           Time
        4815000     9630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44570e+03    1.85717e+04    1.23826e+04    1.13863e+03   -2.82179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57264e+03    1.04012e+05    2.78359e+05   -1.71801e+04   -2.14842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20612e+04   -1.72988e+06    3.50170e+05   -1.37971e+06   -1.34470e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14264e+02   -2.11766e+02    5.78652e+01    3.98932e-06

           Step           Time
        4820000     9640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68110e+03    1.85014e+04    1.24376e+04    1.01022e+03   -2.86340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.27945e+03    1.03571e+05    2.80263e+05   -1.71817e+04   -2.15302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21088e+04   -1.73321e+06    3.49748e+05   -1.38346e+06   -1.34470e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13886e+02   -2.11804e+02   -4.80695e+01    4.12638e-06

           Step           Time
        4825000     9650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46490e+03    1.87763e+04    1.24016e+04    1.14246e+03   -2.93587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50400e+03    1.03953e+05    2.78622e+05   -1.71861e+04   -2.14811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22572e+04   -1.72911e+06    3.48079e+05   -1.38103e+06   -1.34463e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12387e+02   -2.11912e+02    2.27265e+01    4.05033e-06

           Step           Time
        4830000     9660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53065e+03    1.82094e+04    1.25274e+04    1.08626e+03   -2.91197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54803e+03    1.03942e+05    2.78022e+05   -1.71370e+04   -2.14655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22416e+04   -1.72849e+06    3.49363e+05   -1.37912e+06   -1.34463e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13539e+02   -2.10706e+02   -1.81252e+01    4.01128e-06

           Step           Time
        4835000     9670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53737e+03    1.82911e+04    1.25880e+04    1.05318e+03   -2.91271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50170e+03    1.03854e+05    2.78042e+05   -1.71417e+04   -2.14809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21491e+04   -1.73013e+06    3.49014e+05   -1.38112e+06   -1.34459e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13226e+02   -2.10820e+02   -5.15918e+01    4.03169e-06

           Step           Time
        4840000     9680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54924e+03    1.80678e+04    1.23995e+04    1.02525e+03   -2.81218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42733e+03    1.04142e+05    2.77752e+05   -1.71837e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21889e+04   -1.73164e+06    3.46683e+05   -1.38496e+06   -1.34457e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11135e+02   -2.11853e+02   -1.19559e+02    4.12368e-06

           Step           Time
        4845000     9690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79808e+03    1.85649e+04    1.25434e+04    1.06396e+03   -2.90300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60043e+03    1.03872e+05    2.78523e+05   -1.71692e+04   -2.14716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21512e+04   -1.72812e+06    3.48889e+05   -1.37923e+06   -1.34454e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13114e+02   -2.11498e+02   -2.93047e+01    4.01191e-06

           Step           Time
        4850000     9700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55745e+03    1.85182e+04    1.24530e+04    1.11484e+03   -2.85010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38158e+03    1.03524e+05    2.77960e+05   -1.71379e+04   -2.14840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21355e+04   -1.73075e+06    3.48153e+05   -1.38260e+06   -1.34450e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12454e+02   -2.10727e+02   -1.12519e+02    3.96746e-06

           Step           Time
        4855000     9710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44466e+03    1.87392e+04    1.23428e+04    1.10685e+03   -2.76226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31396e+03    1.04268e+05    2.79679e+05   -1.71544e+04   -2.14963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20343e+04   -1.72961e+06    3.48442e+05   -1.38117e+06   -1.34446e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12714e+02   -2.11133e+02   -1.79109e+01    3.93468e-06

           Step           Time
        4860000     9720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69493e+03    1.83772e+04    1.25549e+04    1.14546e+03   -2.84639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45006e+03    1.04200e+05    2.76619e+05   -1.71577e+04   -2.14191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23023e+04   -1.72457e+06    3.49050e+05   -1.37552e+06   -1.34446e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13259e+02   -2.11214e+02   -2.29254e+01    3.91882e-06

           Step           Time
        4865000     9730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66873e+03    1.85811e+04    1.24769e+04    1.12817e+03   -2.94614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45621e+03    1.03899e+05    2.79015e+05   -1.71751e+04   -2.14711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19806e+04   -1.72803e+06    3.50617e+05   -1.37741e+06   -1.34442e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14665e+02   -2.11643e+02   -1.88820e+01    3.95689e-06

           Step           Time
        4870000     9740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71542e+03    1.85082e+04    1.24324e+04    1.11074e+03   -2.73529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41792e+03    1.03576e+05    2.79712e+05   -1.72068e+04   -2.14628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23258e+04   -1.72643e+06    3.49181e+05   -1.37725e+06   -1.34437e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13377e+02   -2.12422e+02    8.36014e+01    4.01839e-06

           Step           Time
        4875000     9750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40691e+03    1.82285e+04    1.22822e+04    1.09330e+03   -2.84624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57640e+03    1.03914e+05    2.80427e+05   -1.71685e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22472e+04   -1.72904e+06    3.48489e+05   -1.38055e+06   -1.34433e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12755e+02   -2.11479e+02    4.66384e+01    3.95975e-06

           Step           Time
        4880000     9760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53838e+03    1.84378e+04    1.23867e+04    1.15083e+03   -2.89578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45496e+03    1.04121e+05    2.78828e+05   -1.71625e+04   -2.14861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21739e+04   -1.72958e+06    3.47937e+05   -1.38164e+06   -1.34429e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12260e+02   -2.11333e+02   -4.63473e+01    3.95222e-06

           Step           Time
        4885000     9770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84429e+03    1.85541e+04    1.24662e+04    1.22189e+03   -2.81162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41814e+03    1.03642e+05    2.79150e+05   -1.71783e+04   -2.14546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21500e+04   -1.72600e+06    3.49147e+05   -1.37686e+06   -1.34426e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13346e+02   -2.11721e+02    7.49372e+01    3.95636e-06

           Step           Time
        4890000     9780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40073e+03    1.85311e+04    1.23155e+04    1.07559e+03   -2.82060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57944e+03    1.03696e+05    2.79586e+05   -1.71976e+04   -2.14961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18982e+04   -1.73054e+06    3.48888e+05   -1.38166e+06   -1.34427e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13113e+02   -2.12196e+02    6.65293e+01    4.08944e-06

           Step           Time
        4895000     9790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36035e+03    1.81524e+04    1.24008e+04    1.18527e+03   -2.77398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57925e+03    1.04689e+05    2.79315e+05   -1.72122e+04   -2.14980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20088e+04   -1.73010e+06    3.48186e+05   -1.38191e+06   -1.34425e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12483e+02   -2.12557e+02    7.13297e+01    4.00891e-06

           Step           Time
        4900000     9800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54916e+03    1.84272e+04    1.24158e+04    1.12346e+03   -2.89030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47568e+03    1.04209e+05    2.78913e+05   -1.71754e+04   -2.14841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21051e+04   -1.72926e+06    3.47482e+05   -1.38178e+06   -1.34420e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11851e+02   -2.11650e+02    2.74730e+01    4.00575e-06

           Step           Time
        4905000     9810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69304e+03    1.86417e+04    1.25393e+04    1.11638e+03   -2.83766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53203e+03    1.04087e+05    2.76609e+05   -1.71318e+04   -2.14556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21535e+04   -1.72816e+06    3.49250e+05   -1.37891e+06   -1.34415e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13438e+02   -2.10576e+02   -7.80221e+01    4.10053e-06

           Step           Time
        4910000     9820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80365e+03    1.83507e+04    1.23234e+04    1.06371e+03   -2.76294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37107e+03    1.03879e+05    2.77799e+05   -1.71723e+04   -2.14626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19419e+04   -1.72866e+06    3.47911e+05   -1.38075e+06   -1.34409e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12236e+02   -2.11573e+02   -1.12815e+02    3.82442e-06

           Step           Time
        4915000     9830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43398e+03    1.80019e+04    1.24757e+04    1.08094e+03   -2.81700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52208e+03    1.04478e+05    2.79900e+05   -1.71861e+04   -2.15063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20893e+04   -1.73065e+06    3.47716e+05   -1.38294e+06   -1.34407e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12062e+02   -2.11914e+02    1.00314e+01    4.13762e-06

           Step           Time
        4920000     9840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31339e+03    1.83291e+04    1.25028e+04    1.16347e+03   -2.82545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46986e+03    1.04141e+05    2.78255e+05   -1.71457e+04   -2.14894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21448e+04   -1.73060e+06    3.48234e+05   -1.38236e+06   -1.34407e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12527e+02   -2.10918e+02   -6.73518e+01    3.88154e-06

           Step           Time
        4925000     9850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59756e+03    1.82002e+04    1.24060e+04    1.06769e+03   -2.77092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48003e+03    1.04255e+05    2.80248e+05   -1.71738e+04   -2.15032e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20657e+04   -1.72994e+06    3.49296e+05   -1.38064e+06   -1.34400e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13480e+02   -2.11609e+02    8.45029e+01    4.09969e-06

           Step           Time
        4930000     9860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56295e+03    1.84341e+04    1.22863e+04    1.17530e+03   -2.80246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39170e+03    1.03833e+05    2.78984e+05   -1.71817e+04   -2.15019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21401e+04   -1.73137e+06    3.49284e+05   -1.38208e+06   -1.34396e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13469e+02   -2.11805e+02   -4.32859e+01    4.04610e-06

           Step           Time
        4935000     9870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47360e+03    1.80251e+04    1.25068e+04    1.02394e+03   -2.97381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34572e+03    1.03722e+05    2.79274e+05   -1.71574e+04   -2.15167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19931e+04   -1.73344e+06    3.48912e+05   -1.38453e+06   -1.34396e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13135e+02   -2.11206e+02   -3.86185e+01    4.10897e-06

           Step           Time
        4940000     9880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66264e+03    1.82313e+04    1.24187e+04    1.08205e+03   -2.79396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41124e+03    1.04129e+05    2.80609e+05   -1.71820e+04   -2.15412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20864e+04   -1.73347e+06    3.47377e+05   -1.38609e+06   -1.34389e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11757e+02   -2.11812e+02   -6.20989e+01    3.96917e-06

           Step           Time
        4945000     9890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73112e+03    1.85618e+04    1.24095e+04    1.06704e+03   -2.82387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46228e+03    1.03768e+05    2.80577e+05   -1.72089e+04   -2.14958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19590e+04   -1.72907e+06    3.49897e+05   -1.37918e+06   -1.34389e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14019e+02   -2.12475e+02    2.05055e+01    4.05639e-06

           Step           Time
        4950000     9900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62324e+03    1.79181e+04    1.24666e+04    1.14183e+03   -2.79373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63179e+03    1.03828e+05    2.78704e+05   -1.71755e+04   -2.14786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20736e+04   -1.72944e+06    3.48141e+05   -1.38130e+06   -1.34390e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12443e+02   -2.11652e+02    5.43027e+00    4.06581e-06

           Step           Time
        4955000     9910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49600e+03    1.86069e+04    1.23605e+04    9.98466e+02   -2.80288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41310e+03    1.03700e+05    2.79041e+05   -1.71571e+04   -2.14806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20677e+04   -1.72934e+06    3.49779e+05   -1.37956e+06   -1.34383e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13913e+02   -2.11198e+02    9.99774e-01    4.15091e-06

           Step           Time
        4960000     9920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54483e+03    1.86212e+04    1.25157e+04    1.06539e+03   -2.83883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44341e+03    1.03826e+05    2.77904e+05   -1.71265e+04   -2.14689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20587e+04   -1.72888e+06    3.48869e+05   -1.38001e+06   -1.34379e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13096e+02   -2.10447e+02   -8.94879e+01    4.15975e-06

           Step           Time
        4965000     9930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31816e+03    1.80852e+04    1.25177e+04    1.14943e+03   -2.89240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57743e+03    1.04037e+05    2.79525e+05   -1.71113e+04   -2.14953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21336e+04   -1.73019e+06    3.48310e+05   -1.38188e+06   -1.34380e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12595e+02   -2.10075e+02    3.82201e+00    4.12929e-06

           Step           Time
        4970000     9940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66078e+03    1.83200e+04    1.24720e+04    1.11160e+03   -2.91598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44265e+03    1.04361e+05    2.78777e+05   -1.71602e+04   -2.14985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20278e+04   -1.73076e+06    3.48492e+05   -1.38227e+06   -1.34372e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12758e+02   -2.11275e+02   -8.29580e+01    4.09373e-06

           Step           Time
        4975000     9950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86620e+03    1.86327e+04    1.25377e+04    1.15136e+03   -2.78762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49983e+03    1.04275e+05    2.81009e+05   -1.71831e+04   -2.14807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20910e+04   -1.72598e+06    3.48442e+05   -1.37753e+06   -1.34363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12713e+02   -2.11840e+02    1.34709e+02    4.05150e-06

           Step           Time
        4980000     9960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55064e+03    1.86185e+04    1.23858e+04    1.09300e+03   -2.87064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55088e+03    1.04370e+05    2.76887e+05   -1.71472e+04   -2.14601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20513e+04   -1.72852e+06    3.49225e+05   -1.37929e+06   -1.34369e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13416e+02   -2.10956e+02   -6.76699e+01    4.09423e-06

           Step           Time
        4985000     9970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61995e+03    1.80349e+04    1.24759e+04    1.15318e+03   -2.86557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55702e+03    1.04238e+05    2.79042e+05   -1.71551e+04   -2.15203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21749e+04   -1.73275e+06    3.47474e+05   -1.38528e+06   -1.34363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11845e+02   -2.11149e+02    6.42578e+00    3.90170e-06

           Step           Time
        4990000     9980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60476e+03    1.81127e+04    1.23576e+04    1.12486e+03   -2.87853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58986e+03    1.04107e+05    2.79775e+05   -1.71492e+04   -2.15173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19791e+04   -1.73211e+06    3.48426e+05   -1.38368e+06   -1.34362e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12699e+02   -2.11004e+02   -1.15574e+01    3.90166e-06

           Step           Time
        4995000     9990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59631e+03    1.84911e+04    1.22806e+04    9.90300e+02   -2.91784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42843e+03    1.04127e+05    2.81575e+05   -1.71652e+04   -2.15271e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20556e+04   -1.73125e+06    3.47713e+05   -1.38353e+06   -1.34357e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12059e+02   -2.11399e+02   -3.97779e+01    3.92755e-06

           Step           Time
        5000000    10000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44127e+03    1.86528e+04    1.24160e+04    1.14289e+03   -2.74611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39011e+03    1.04088e+05    2.78901e+05   -1.71939e+04   -2.14916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21623e+04   -1.72991e+06    3.49483e+05   -1.38042e+06   -1.34353e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13647e+02   -2.12105e+02   -3.78268e+00    4.03998e-06

           Step           Time
        5005000    10010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51857e+03    1.83596e+04    1.24707e+04    1.10440e+03   -2.84270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54148e+03    1.03063e+05    2.79778e+05   -1.71790e+04   -2.15001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21169e+04   -1.73108e+06    3.48264e+05   -1.38282e+06   -1.34354e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12553e+02   -2.11737e+02    3.09860e+01    4.20495e-06

           Step           Time
        5010000    10020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47930e+03    1.87333e+04    1.22290e+04    1.11172e+03   -2.84947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46750e+03    1.03283e+05    2.78428e+05   -1.71759e+04   -2.14619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21391e+04   -1.72835e+06    3.49486e+05   -1.37886e+06   -1.34350e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13650e+02   -2.11661e+02    7.06158e+01    4.10566e-06

           Step           Time
        5015000    10030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33617e+03    1.83508e+04    1.25811e+04    1.03843e+03   -2.87006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57749e+03    1.03801e+05    2.79696e+05   -1.71729e+04   -2.15154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21976e+04   -1.73201e+06    3.48725e+05   -1.38328e+06   -1.34347e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12967e+02   -2.11588e+02    4.02253e+01    3.89654e-06

           Step           Time
        5020000    10040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66039e+03    1.81647e+04    1.24231e+04    1.06143e+03   -2.90321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64722e+03    1.03763e+05    2.77064e+05   -1.71991e+04   -2.14576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22368e+04   -1.72884e+06    3.50304e+05   -1.37854e+06   -1.34342e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14384e+02   -2.12232e+02    1.06846e+00    4.08409e-06

           Step           Time
        5025000    10050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64062e+03    1.80998e+04    1.24395e+04    1.09520e+03   -2.85711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50447e+03    1.03766e+05    2.78867e+05   -1.71366e+04   -2.14889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20708e+04   -1.73040e+06    3.50345e+05   -1.38005e+06   -1.34339e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14421e+02   -2.10695e+02   -6.15509e+01    4.13614e-06

           Step           Time
        5030000    10060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67832e+03    1.87117e+04    1.23696e+04    1.11627e+03   -2.82913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58493e+03    1.03614e+05    2.77958e+05   -1.71543e+04   -2.14464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20732e+04   -1.72652e+06    3.49988e+05   -1.37653e+06   -1.34334e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14101e+02   -2.11131e+02    2.54937e+01    4.04204e-06

           Step           Time
        5035000    10070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51345e+03    1.83076e+04    1.25060e+04    1.06014e+03   -2.91663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54921e+03    1.04044e+05    2.79842e+05   -1.71982e+04   -2.15140e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20456e+04   -1.73165e+06    3.48007e+05   -1.38364e+06   -1.34329e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12323e+02   -2.12211e+02    4.78248e+01    4.12806e-06

           Step           Time
        5040000    10080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87510e+03    1.83191e+04    1.24359e+04    1.05578e+03   -2.82839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51985e+03    1.03498e+05    2.80224e+05   -1.71619e+04   -2.14855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22152e+04   -1.72840e+06    3.47902e+05   -1.38050e+06   -1.34321e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12228e+02   -2.11317e+02    2.80782e+01    4.00957e-06

           Step           Time
        5045000    10090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58887e+03    1.84666e+04    1.23943e+04    1.04814e+03   -2.86214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56077e+03    1.03991e+05    2.77335e+05   -1.71945e+04   -2.14657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21491e+04   -1.72909e+06    3.49331e+05   -1.37976e+06   -1.34323e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13511e+02   -2.12119e+02   -3.21914e+01    4.20686e-06

           Step           Time
        5050000    10100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34718e+03    1.80983e+04    1.24861e+04    1.11151e+03   -2.81601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51681e+03    1.03897e+05    2.79993e+05   -1.71750e+04   -2.15046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20353e+04   -1.73097e+06    3.47453e+05   -1.38352e+06   -1.34317e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11826e+02   -2.11639e+02    3.36716e+01    4.04303e-06

           Step           Time
        5055000    10110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68305e+03    1.85638e+04    1.26192e+04    1.16569e+03   -2.75772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45087e+03    1.04227e+05    2.78445e+05   -1.71926e+04   -2.14910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20822e+04   -1.72982e+06    3.48904e+05   -1.38091e+06   -1.34308e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13128e+02   -2.12072e+02   -9.75776e+00    3.94413e-06

           Step           Time
        5060000    10120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68540e+03    1.82142e+04    1.23463e+04    1.07700e+03   -2.74431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57935e+03    1.04383e+05    2.82036e+05   -1.71545e+04   -2.15352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22770e+04   -1.73082e+06    3.48488e+05   -1.38233e+06   -1.34312e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12754e+02   -2.11135e+02    1.83335e+01    3.88676e-06

           Step           Time
        5065000    10130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49446e+03    1.85328e+04    1.23214e+04    1.11531e+03   -2.80650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52054e+03    1.04030e+05    2.77520e+05   -1.71686e+04   -2.14806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21038e+04   -1.73040e+06    3.50660e+05   -1.37974e+06   -1.34313e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14704e+02   -2.11482e+02   -7.22646e+01    4.05980e-06

           Step           Time
        5070000    10140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51188e+03    1.86064e+04    1.24501e+04    1.06835e+03   -2.71484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39631e+03    1.03602e+05    2.78691e+05   -1.71857e+04   -2.14787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21409e+04   -1.72930e+06    3.49709e+05   -1.37959e+06   -1.34307e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13850e+02   -2.11902e+02   -3.28558e+01    4.10431e-06

           Step           Time
        5075000    10150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47692e+03    1.79857e+04    1.24999e+04    1.06111e+03   -2.83712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56104e+03    1.03975e+05    2.76524e+05   -1.71708e+04   -2.14547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21261e+04   -1.72927e+06    3.48646e+05   -1.38062e+06   -1.34305e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12896e+02   -2.11536e+02   -8.13969e+01    3.99074e-06

           Step           Time
        5080000    10160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67402e+03    1.86386e+04    1.24191e+04    1.05464e+03   -2.70280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34701e+03    1.03810e+05    2.79774e+05   -1.71500e+04   -2.14839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21947e+04   -1.72833e+06    3.47843e+05   -1.38049e+06   -1.34297e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12176e+02   -2.11025e+02   -1.57585e+01    4.05374e-06

           Step           Time
        5085000    10170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36615e+03    1.81840e+04    1.24696e+04    1.16132e+03   -2.76475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48780e+03    1.04184e+05    2.80309e+05   -1.72036e+04   -2.15070e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19412e+04   -1.73057e+06    3.49481e+05   -1.38109e+06   -1.34297e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13646e+02   -2.12344e+02    1.10210e+02    4.01034e-06

           Step           Time
        5090000    10180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55831e+03    1.86234e+04    1.23707e+04    1.06775e+03   -2.79623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41456e+03    1.03568e+05    2.77454e+05   -1.71600e+04   -2.14418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21738e+04   -1.72691e+06    3.48957e+05   -1.37795e+06   -1.34294e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13175e+02   -2.11270e+02   -5.91472e+01    4.09630e-06

           Step           Time
        5095000    10190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40615e+03    1.83797e+04    1.25262e+04    1.09902e+03   -2.79666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50963e+03    1.04235e+05    2.81018e+05   -1.71698e+04   -2.15165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19943e+04   -1.73045e+06    3.49493e+05   -1.38096e+06   -1.34287e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13656e+02   -2.11512e+02    1.21258e+02    3.93962e-06

           Step           Time
        5100000    10200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54343e+03    1.81436e+04    1.23858e+04    1.08275e+03   -2.73199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36646e+03    1.03984e+05    2.78697e+05   -1.71386e+04   -2.14896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20336e+04   -1.73059e+06    3.47151e+05   -1.38344e+06   -1.34284e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11554e+02   -2.10745e+02   -7.84727e+01    4.03735e-06

           Step           Time
        5105000    10210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31036e+03    1.82103e+04    1.24774e+04    1.10477e+03   -2.67975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51494e+03    1.04055e+05    2.79487e+05   -1.72318e+04   -2.15038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20917e+04   -1.73104e+06    3.47093e+05   -1.38395e+06   -1.34278e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11503e+02   -2.13039e+02    9.28031e+01    4.17522e-06

           Step           Time
        5110000    10220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53510e+03    1.89479e+04    1.24694e+04    1.20151e+03   -2.88207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47832e+03    1.03730e+05    2.78992e+05   -1.71258e+04   -2.14832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21288e+04   -1.72885e+06    3.50336e+05   -1.37851e+06   -1.34276e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14413e+02   -2.10429e+02   -4.77267e+01    4.03907e-06

           Step           Time
        5115000    10230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46320e+03    1.81054e+04    1.24345e+04    1.14612e+03   -2.80662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58971e+03    1.04214e+05    2.80996e+05   -1.71759e+04   -2.15134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19400e+04   -1.73043e+06    3.48857e+05   -1.38157e+06   -1.34273e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13085e+02   -2.11661e+02    7.92177e+01    4.09546e-06

           Step           Time
        5120000    10240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67486e+03    1.83046e+04    1.25480e+04    1.03485e+03   -2.80412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45381e+03    1.03592e+05    2.80114e+05   -1.71675e+04   -2.15057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22304e+04   -1.73059e+06    3.48949e+05   -1.38164e+06   -1.34271e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13168e+02   -2.11454e+02    3.99874e+01    4.08330e-06

           Step           Time
        5125000    10250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37359e+03    1.82069e+04    1.24583e+04    1.15435e+03   -2.86666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57501e+03    1.04191e+05    2.79676e+05   -1.71927e+04   -2.15080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20824e+04   -1.73114e+06    3.46482e+05   -1.38466e+06   -1.34263e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10954e+02   -2.12075e+02   -9.72522e+00    3.92601e-06

           Step           Time
        5130000    10260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39599e+03    1.85538e+04    1.25871e+04    1.14614e+03   -2.91821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46429e+03    1.04313e+05    2.79318e+05   -1.71703e+04   -2.14712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21768e+04   -1.72725e+06    3.48097e+05   -1.37915e+06   -1.34265e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12404e+02   -2.11523e+02    5.93811e+01    4.17536e-06

           Step           Time
        5135000    10270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40322e+03    1.84821e+04    1.25175e+04    1.13286e+03   -2.86473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48339e+03    1.03719e+05    2.78583e+05   -1.71457e+04   -2.14551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20279e+04   -1.72717e+06    3.50205e+05   -1.37696e+06   -1.34263e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14296e+02   -2.10919e+02    4.02120e+01    4.13065e-06

           Step           Time
        5140000    10280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50334e+03    1.82579e+04    1.22981e+04    1.15185e+03   -2.82275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56415e+03    1.04233e+05    2.80885e+05   -1.72278e+04   -2.15064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18895e+04   -1.72991e+06    3.49252e+05   -1.38066e+06   -1.34257e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13440e+02   -2.12942e+02    1.64234e+02    4.02080e-06

           Step           Time
        5145000    10290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62732e+03    1.82513e+04    1.24166e+04    1.22017e+03   -2.86226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40554e+03    1.03997e+05    2.79172e+05   -1.71818e+04   -2.14840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22141e+04   -1.72914e+06    3.49356e+05   -1.37978e+06   -1.34256e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13533e+02   -2.11808e+02   -2.04472e+01    4.01866e-06

           Step           Time
        5150000    10300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47478e+03    1.84270e+04    1.25490e+04    1.10602e+03   -2.94022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40749e+03    1.04120e+05    2.80339e+05   -1.71337e+04   -2.14965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21159e+04   -1.72918e+06    3.49374e+05   -1.37981e+06   -1.34254e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13549e+02   -2.10625e+02    1.04679e+01    4.09157e-06

           Step           Time
        5155000    10310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78322e+03    1.81509e+04    1.25841e+04    1.10720e+03   -2.82646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52529e+03    1.03692e+05    2.79515e+05   -1.71875e+04   -2.14851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20198e+04   -1.72915e+06    3.49252e+05   -1.37990e+06   -1.34251e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13441e+02   -2.11948e+02    3.57554e+01    4.23062e-06

           Step           Time
        5160000    10320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79105e+03    1.80383e+04    1.25906e+04    1.12258e+03   -2.89610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58472e+03    1.04087e+05    2.79532e+05   -1.71688e+04   -2.15081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21305e+04   -1.73100e+06    3.48800e+05   -1.38220e+06   -1.34245e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13034e+02   -2.11487e+02    6.61761e+01    3.99327e-06

           Step           Time
        5165000    10330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82891e+03    1.80451e+04    1.25723e+04    1.11661e+03   -3.00159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49226e+03    1.03939e+05    2.78403e+05   -1.71291e+04   -2.14823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20592e+04   -1.72990e+06    3.49391e+05   -1.38051e+06   -1.34241e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13565e+02   -2.10510e+02   -1.20959e+02    4.08566e-06

Writing checkpoint, step 5167800 at Thu Dec  7 06:42:56 2023


           Step           Time
        5170000    10340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36292e+03    1.82978e+04    1.25827e+04    1.13677e+03   -2.79254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45100e+03    1.04193e+05    2.79637e+05   -1.71708e+04   -2.14877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22799e+04   -1.72879e+06    3.48524e+05   -1.38027e+06   -1.34238e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12786e+02   -2.11537e+02    2.71415e+01    4.03551e-06

           Step           Time
        5175000    10350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68678e+03    1.82671e+04    1.24395e+04    1.14470e+03   -2.79448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51982e+03    1.03783e+05    2.80188e+05   -1.71975e+04   -2.15212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21339e+04   -1.73195e+06    3.47639e+05   -1.38432e+06   -1.34235e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11993e+02   -2.12194e+02    2.26443e+01    3.98782e-06

           Step           Time
        5180000    10360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86210e+03    1.84322e+04    1.24413e+04    1.07921e+03   -2.73618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43966e+03    1.03672e+05    2.80155e+05   -1.71351e+04   -2.14825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23382e+04   -1.72770e+06    3.50289e+05   -1.37741e+06   -1.34230e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14371e+02   -2.10658e+02    5.05246e+00    3.95526e-06

           Step           Time
        5185000    10370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59118e+03    1.82597e+04    1.23178e+04    1.08245e+03   -2.82623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37475e+03    1.03533e+05    2.82565e+05   -1.71945e+04   -2.15496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20762e+04   -1.73319e+06    3.48581e+05   -1.38460e+06   -1.34233e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12838e+02   -2.12119e+02    1.14038e+02    3.86056e-06

           Step           Time
        5190000    10380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54066e+03    1.80150e+04    1.24147e+04    1.11294e+03   -2.76628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64543e+03    1.04130e+05    2.80064e+05   -1.71706e+04   -2.14864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22947e+04   -1.72836e+06    3.48688e+05   -1.37967e+06   -1.34232e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12934e+02   -2.11532e+02    7.19757e+01    4.20995e-06

           Step           Time
        5195000    10390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36187e+03    1.86948e+04    1.24597e+04    1.12320e+03   -2.78839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52820e+03    1.03891e+05    2.80891e+05   -1.71846e+04   -2.14742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21642e+04   -1.72628e+06    3.49801e+05   -1.37648e+06   -1.34226e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13933e+02   -2.11877e+02    1.56211e+02    4.06186e-06

           Step           Time
        5200000    10400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41951e+03    1.86371e+04    1.24566e+04    1.05906e+03   -2.76232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57085e+03    1.04118e+05    2.78862e+05   -1.71596e+04   -2.14832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20659e+04   -1.72905e+06    3.48948e+05   -1.38011e+06   -1.34223e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13167e+02   -2.11260e+02    9.26217e+00    3.99231e-06

           Step           Time
        5205000    10410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70597e+03    1.84441e+04    1.24885e+04    1.10778e+03   -2.75698e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54149e+03    1.03754e+05    2.76414e+05   -1.71719e+04   -2.14596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20859e+04   -1.72934e+06    3.49513e+05   -1.37983e+06   -1.34221e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13675e+02   -2.11564e+02   -5.02161e+01    4.01659e-06

           Step           Time
        5210000    10420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41046e+03    1.80973e+04    1.24459e+04    1.13432e+03   -2.83960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50191e+03    1.04301e+05    2.78990e+05   -1.71832e+04   -2.14872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20193e+04   -1.72984e+06    3.47524e+05   -1.38232e+06   -1.34216e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11890e+02   -2.11841e+02   -3.19865e+01    3.94036e-06

           Step           Time
        5215000    10430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62880e+03    1.84716e+04    1.23876e+04    1.05557e+03   -2.79482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46358e+03    1.04396e+05    2.80113e+05   -1.71732e+04   -2.15140e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20323e+04   -1.73082e+06    3.50670e+05   -1.38014e+06   -1.34216e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14713e+02   -2.11594e+02   -3.78153e+00    4.13014e-06

           Step           Time
        5220000    10440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60327e+03    1.83096e+04    1.24599e+04    1.13156e+03   -2.79004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48642e+03    1.04009e+05    2.78166e+05   -1.71846e+04   -2.14850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20962e+04   -1.73022e+06    3.49037e+05   -1.38118e+06   -1.34214e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13247e+02   -2.11876e+02    2.38808e+01    4.13770e-06

           Step           Time
        5225000    10450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49224e+03    1.83834e+04    1.24303e+04    1.10574e+03   -2.97797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51169e+03    1.03947e+05    2.79667e+05   -1.71687e+04   -2.14902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21475e+04   -1.72948e+06    3.47844e+05   -1.38164e+06   -1.34205e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12176e+02   -2.11483e+02    3.18084e+01    3.97058e-06

           Step           Time
        5230000    10460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64298e+03    1.84113e+04    1.23830e+04    1.09761e+03   -2.79697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39151e+03    1.03659e+05    2.81071e+05   -1.71543e+04   -2.15185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20257e+04   -1.73112e+06    3.49082e+05   -1.38204e+06   -1.34201e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13287e+02   -2.11129e+02   -3.55262e+01    4.20406e-06

           Step           Time
        5235000    10470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42912e+03    1.80357e+04    1.25164e+04    1.14523e+03   -2.83769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41363e+03    1.04259e+05    2.78690e+05   -1.71415e+04   -2.14874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20575e+04   -1.73018e+06    3.48570e+05   -1.38161e+06   -1.34204e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12828e+02   -2.10816e+02   -4.96654e+01    3.97019e-06

           Step           Time
        5240000    10480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61217e+03    1.82019e+04    1.25078e+04    1.15324e+03   -2.86060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51013e+03    1.04552e+05    2.79071e+05   -1.71921e+04   -2.14913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19604e+04   -1.72961e+06    3.49329e+05   -1.38028e+06   -1.34196e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13509e+02   -2.12060e+02    1.55063e+01    4.12179e-06

           Step           Time
        5245000    10490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64480e+03    1.83047e+04    1.25629e+04    1.11643e+03   -2.92686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50335e+03    1.04205e+05    2.77964e+05   -1.71394e+04   -2.14378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22167e+04   -1.72533e+06    3.49201e+05   -1.37613e+06   -1.34194e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13394e+02   -2.10765e+02    5.44680e+01    4.01232e-06

           Step           Time
        5250000    10500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50554e+03    1.80760e+04    1.25067e+04    1.10270e+03   -2.86860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53480e+03    1.04557e+05    2.80136e+05   -1.71988e+04   -2.15114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21280e+04   -1.73066e+06    3.50424e+05   -1.38023e+06   -1.34191e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14492e+02   -2.12225e+02    7.04370e+01    4.00333e-06

           Step           Time
        5255000    10510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41569e+03    1.84492e+04    1.25087e+04    1.09230e+03   -2.87176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57617e+03    1.04051e+05    2.80092e+05   -1.71531e+04   -2.15019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22273e+04   -1.72980e+06    3.49161e+05   -1.38064e+06   -1.34186e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13358e+02   -2.11101e+02    6.98340e+01    4.06361e-06

           Step           Time
        5260000    10520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58264e+03    1.80209e+04    1.25791e+04    1.05034e+03   -2.77097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45600e+03    1.04394e+05    2.78472e+05   -1.71597e+04   -2.15062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21147e+04   -1.73188e+06    3.50561e+05   -1.38132e+06   -1.34190e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14615e+02   -2.11263e+02   -6.88594e+01    4.25522e-06

           Step           Time
        5265000    10530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46949e+03    1.80683e+04    1.25345e+04    1.10300e+03   -2.83765e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49783e+03    1.03960e+05    2.77310e+05   -1.71403e+04   -2.14464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22107e+04   -1.72746e+06    3.49149e+05   -1.37832e+06   -1.34188e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13348e+02   -2.10787e+02   -5.89060e+01    4.25095e-06

           Step           Time
        5270000    10540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51234e+03    1.81755e+04    1.25946e+04    1.16954e+03   -2.83194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56346e+03    1.04056e+05    2.75715e+05   -1.71512e+04   -2.14412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20472e+04   -1.72827e+06    3.49136e+05   -1.37913e+06   -1.34180e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13336e+02   -2.11054e+02   -7.11505e+01    4.12925e-06

           Step           Time
        5275000    10550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48907e+03    1.83169e+04    1.25718e+04    1.06429e+03   -2.93322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47286e+03    1.03739e+05    2.80924e+05   -1.71624e+04   -2.15126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20940e+04   -1.73068e+06    3.48578e+05   -1.38210e+06   -1.34175e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12835e+02   -2.11329e+02    2.69628e+01    4.01030e-06

           Step           Time
        5280000    10560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50189e+03    1.83691e+04    1.26102e+04    1.16588e+03   -2.75712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54085e+03    1.04290e+05    2.79930e+05   -1.71861e+04   -2.14979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19997e+04   -1.72933e+06    3.47992e+05   -1.38133e+06   -1.34168e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12309e+02   -2.11913e+02    4.98374e+01    4.06100e-06

           Step           Time
        5285000    10570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40216e+03    1.82181e+04    1.24489e+04    1.04612e+03   -2.76515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52542e+03    1.03442e+05    2.79744e+05   -1.71801e+04   -2.14882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19678e+04   -1.72997e+06    3.45976e+05   -1.38399e+06   -1.34169e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.11765e+02   -4.18772e+00    3.96324e-06

           Step           Time
        5290000    10580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27259e+03    1.84044e+04    1.24843e+04    1.19218e+03   -2.83398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43772e+03    1.04297e+05    2.76852e+05   -1.71662e+04   -2.14588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21084e+04   -1.72883e+06    3.48451e+05   -1.38038e+06   -1.34167e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12721e+02   -2.11423e+02   -2.58341e+01    4.14894e-06

           Step           Time
        5295000    10590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60376e+03    1.81685e+04    1.26476e+04    1.06007e+03   -2.80260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44896e+03    1.03870e+05    2.78201e+05   -1.71306e+04   -2.14889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20444e+04   -1.73078e+06    3.47612e+05   -1.38317e+06   -1.34160e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11968e+02   -2.10549e+02   -1.15926e+02    3.99755e-06

           Step           Time
        5300000    10600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65592e+03    1.81307e+04    1.23724e+04    1.10981e+03   -2.75891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42572e+03    1.04197e+05    2.77576e+05   -1.71569e+04   -2.14849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21151e+04   -1.73082e+06    3.48512e+05   -1.38231e+06   -1.34160e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12776e+02   -2.11194e+02   -1.43297e+02    4.07879e-06

           Step           Time
        5305000    10610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40665e+03    1.83555e+04    1.23517e+04    1.07839e+03   -2.85290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48996e+03    1.03773e+05    2.78994e+05   -1.71241e+04   -2.14955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20356e+04   -1.73104e+06    3.48929e+05   -1.38211e+06   -1.34162e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13151e+02   -2.10388e+02   -1.04840e+02    4.12560e-06

           Step           Time
        5310000    10620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72526e+03    1.81167e+04    1.25916e+04    1.13241e+03   -2.78042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53397e+03    1.04115e+05    2.80559e+05   -1.71761e+04   -2.14833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22337e+04   -1.72728e+06    3.47946e+05   -1.37933e+06   -1.34155e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12268e+02   -2.11666e+02    9.58384e+01    4.04330e-06

           Step           Time
        5315000    10630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70046e+03    1.85608e+04    1.26700e+04    1.08600e+03   -2.76658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50569e+03    1.03618e+05    2.78819e+05   -1.71711e+04   -2.14766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19040e+04   -1.72873e+06    3.47982e+05   -1.38075e+06   -1.34151e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12300e+02   -2.11542e+02    5.40201e+00    4.12296e-06

           Step           Time
        5320000    10640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37422e+03    1.79626e+04    1.24121e+04    1.08074e+03   -2.80749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56063e+03    1.04703e+05    2.79206e+05   -1.71590e+04   -2.15239e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20492e+04   -1.73301e+06    3.49011e+05   -1.38399e+06   -1.34150e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13224e+02   -2.11246e+02   -8.30464e+01    4.17775e-06

           Step           Time
        5325000    10650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49122e+03    1.82964e+04    1.23630e+04    1.02172e+03   -2.80534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55156e+03    1.04116e+05    2.78368e+05   -1.71659e+04   -2.14851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21039e+04   -1.73017e+06    3.47617e+05   -1.38255e+06   -1.34143e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11973e+02   -2.11416e+02    5.03330e+01    4.05102e-06

           Step           Time
        5330000    10660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32486e+03    1.84656e+04    1.24837e+04    1.08007e+03   -2.89049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56550e+03    1.04253e+05    2.80013e+05   -1.71605e+04   -2.14944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21306e+04   -1.72918e+06    3.48161e+05   -1.38101e+06   -1.34143e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12461e+02   -2.11283e+02    6.07855e+01    4.05396e-06

           Step           Time
        5335000    10670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58601e+03    1.80609e+04    1.22249e+04    1.10557e+03   -2.80664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51496e+03    1.04290e+05    2.79051e+05   -1.71540e+04   -2.14904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21974e+04   -1.72997e+06    3.46943e+05   -1.38303e+06   -1.34139e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11367e+02   -2.11123e+02   -1.04066e+01    3.96027e-06

           Step           Time
        5340000    10680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66619e+03    1.84967e+04    1.25801e+04    1.18020e+03   -2.84804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46495e+03    1.03975e+05    2.76565e+05   -1.71879e+04   -2.14543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20242e+04   -1.72851e+06    3.49988e+05   -1.37853e+06   -1.34136e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14101e+02   -2.11957e+02   -8.51816e+01    4.07669e-06

           Step           Time
        5345000    10690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64969e+03    1.87019e+04    1.25241e+04    1.00790e+03   -2.97689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46339e+03    1.03850e+05    2.79822e+05   -1.71446e+04   -2.14703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21533e+04   -1.72698e+06    3.50242e+05   -1.37674e+06   -1.34130e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14328e+02   -2.10891e+02    5.47526e+01    4.04719e-06

           Step           Time
        5350000    10700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35794e+03    1.80134e+04    1.26670e+04    1.09891e+03   -2.84409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48823e+03    1.04424e+05    2.80242e+05   -1.71783e+04   -2.15244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19265e+04   -1.73224e+06    3.49831e+05   -1.38241e+06   -1.34132e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13960e+02   -2.11721e+02    8.39693e+00    3.95217e-06

           Step           Time
        5355000    10710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50618e+03    1.81921e+04    1.26711e+04    1.06734e+03   -2.87292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46289e+03    1.04344e+05    2.78443e+05   -1.71764e+04   -2.14647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20282e+04   -1.72780e+06    3.49007e+05   -1.37879e+06   -1.34127e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13221e+02   -2.11673e+02    5.23462e+01    4.04769e-06

           Step           Time
        5360000    10720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71485e+03    1.84552e+04    1.23280e+04    1.08667e+03   -2.91759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57313e+03    1.04512e+05    2.80740e+05   -1.71434e+04   -2.15159e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23201e+04   -1.72992e+06    3.49527e+05   -1.38039e+06   -1.34121e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13687e+02   -2.10862e+02    4.10586e+01    3.99669e-06

           Step           Time
        5365000    10730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58449e+03    1.79675e+04    1.24629e+04    1.11670e+03   -2.73450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43117e+03    1.03753e+05    2.79768e+05   -1.71637e+04   -2.15006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20369e+04   -1.73084e+06    3.49689e+05   -1.38115e+06   -1.34128e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13832e+02   -2.11361e+02   -1.77554e+01    4.02015e-06

           Step           Time
        5370000    10740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33484e+03    1.80907e+04    1.25517e+04    1.11020e+03   -2.77289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67687e+03    1.04423e+05    2.80302e+05   -1.71531e+04   -2.14974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22126e+04   -1.72897e+06    3.47553e+05   -1.38141e+06   -1.34121e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11916e+02   -2.11101e+02    1.49277e+02    4.20666e-06

           Step           Time
        5375000    10750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47432e+03    1.81811e+04    1.25358e+04    1.05296e+03   -2.89749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61917e+03    1.04539e+05    2.78085e+05   -1.71543e+04   -2.14845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20751e+04   -1.72994e+06    3.48939e+05   -1.38100e+06   -1.34116e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13159e+02   -2.11131e+02   -3.75418e+01    4.11873e-06

           Step           Time
        5380000    10760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52512e+03    1.83496e+04    1.23778e+04    1.10512e+03   -2.79573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50593e+03    1.04045e+05    2.80993e+05   -1.71966e+04   -2.15220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22022e+04   -1.73109e+06    3.49018e+05   -1.38207e+06   -1.34113e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13230e+02   -2.12171e+02    9.25487e+01    4.02652e-06

           Step           Time
        5385000    10770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47187e+03    1.84701e+04    1.23920e+04    1.10072e+03   -2.76976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65132e+03    1.03829e+05    2.78461e+05   -1.71944e+04   -2.14700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20972e+04   -1.72849e+06    3.49362e+05   -1.37913e+06   -1.34115e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13539e+02   -2.12118e+02    4.57931e+01    4.07634e-06

           Step           Time
        5390000    10780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58279e+03    1.84917e+04    1.23288e+04    1.06127e+03   -2.81703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49479e+03    1.04019e+05    2.79518e+05   -1.72371e+04   -2.15129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19434e+04   -1.73190e+06    3.49894e+05   -1.38201e+06   -1.34112e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14017e+02   -2.13171e+02    6.11138e+01    4.07456e-06

           Step           Time
        5395000    10790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64909e+03    1.83175e+04    1.23008e+04    1.04246e+03   -2.81829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54824e+03    1.04292e+05    2.80332e+05   -1.71990e+04   -2.15033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19898e+04   -1.72987e+06    3.47833e+05   -1.38204e+06   -1.34101e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12167e+02   -2.12231e+02    2.37521e+01    4.05891e-06

           Step           Time
        5400000    10800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30328e+03    1.84103e+04    1.25677e+04    1.03641e+03   -2.78866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44706e+03    1.03741e+05    2.78535e+05   -1.71452e+04   -2.14803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21173e+04   -1.72981e+06    3.46413e+05   -1.38339e+06   -1.34103e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10893e+02   -2.10907e+02   -9.63900e+01    4.06593e-06

           Step           Time
        5405000    10810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53130e+03    1.83683e+04    1.24638e+04    1.12596e+03   -2.89480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35590e+03    1.04513e+05    2.79100e+05   -1.71628e+04   -2.15017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23455e+04   -1.73043e+06    3.49520e+05   -1.38091e+06   -1.34097e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13681e+02   -2.11339e+02   -2.08188e+01    4.07673e-06

           Step           Time
        5410000    10820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44528e+03    1.80514e+04    1.24311e+04    1.05839e+03   -2.74716e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35925e+03    1.03874e+05    2.80877e+05   -1.71601e+04   -2.15128e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22329e+04   -1.73086e+06    3.48346e+05   -1.38251e+06   -1.34099e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12627e+02   -2.11273e+02    1.51131e+01    3.98869e-06

           Step           Time
        5415000    10830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59576e+03    1.84650e+04    1.25717e+04    1.15941e+03   -2.90170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53003e+03    1.04064e+05    2.81142e+05   -1.71558e+04   -2.15173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21679e+04   -1.73009e+06    3.48524e+05   -1.38157e+06   -1.34091e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12787e+02   -2.11166e+02    6.77754e+01    4.09065e-06

           Step           Time
        5420000    10840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52578e+03    1.83288e+04    1.25760e+04    1.02723e+03   -2.78068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53894e+03    1.04466e+05    2.79542e+05   -1.71879e+04   -2.14951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23670e+04   -1.72911e+06    3.49799e+05   -1.37931e+06   -1.34089e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13931e+02   -2.11956e+02    1.00349e+02    4.10367e-06

           Step           Time
        5425000    10850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62065e+03    1.83715e+04    1.24710e+04    1.17040e+03   -2.78350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40832e+03    1.03994e+05    2.80842e+05   -1.71790e+04   -2.15121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21333e+04   -1.73017e+06    3.48501e+05   -1.38166e+06   -1.34089e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12766e+02   -2.11737e+02    4.40887e+01    3.96210e-06

           Step           Time
        5430000    10860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61514e+03    1.80040e+04    1.25800e+04    1.06281e+03   -2.80323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39590e+03    1.04049e+05    2.78113e+05   -1.71737e+04   -2.14747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21840e+04   -1.72944e+06    3.47296e+05   -1.38215e+06   -1.34084e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11685e+02   -2.11606e+02   -2.82806e+01    4.00640e-06

           Step           Time
        5435000    10870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34696e+03    1.84580e+04    1.25803e+04    1.01594e+03   -2.82831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50745e+03    1.03846e+05    2.78148e+05   -1.71659e+04   -2.14776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19946e+04   -1.72986e+06    3.48430e+05   -1.38143e+06   -1.34080e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12702e+02   -2.11416e+02   -2.05059e+01    4.21201e-06

           Step           Time
        5440000    10880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48168e+03    1.83072e+04    1.25046e+04    1.08688e+03   -2.83263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49772e+03    1.04008e+05    2.79055e+05   -1.71943e+04   -2.15117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20704e+04   -1.73219e+06    3.48786e+05   -1.38340e+06   -1.34078e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13022e+02   -2.12115e+02    2.83948e+00    3.92251e-06

           Step           Time
        5445000    10890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72074e+03    1.82925e+04    1.25040e+04    1.09956e+03   -2.84539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46189e+03    1.04075e+05    2.79142e+05   -1.71834e+04   -2.15025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20632e+04   -1.73092e+06    3.48993e+05   -1.38193e+06   -1.34073e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13208e+02   -2.11846e+02   -4.64738e+00    3.99168e-06

           Step           Time
        5450000    10900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49508e+03    1.84539e+04    1.25623e+04    1.03545e+03   -2.76104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34952e+03    1.04269e+05    2.79286e+05   -1.71497e+04   -2.14689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19841e+04   -1.72737e+06    3.49831e+05   -1.37753e+06   -1.34074e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13959e+02   -2.11016e+02    3.93793e+01    4.08102e-06

           Step           Time
        5455000    10910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49362e+03    1.87406e+04    1.22534e+04    1.17164e+03   -2.72229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53346e+03    1.03913e+05    2.78500e+05   -1.71706e+04   -2.14736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20918e+04   -1.72855e+06    3.48741e+05   -1.37981e+06   -1.34067e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12981e+02   -2.11530e+02    2.91485e+01    4.15401e-06

           Step           Time
        5460000    10920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70498e+03    1.83569e+04    1.23943e+04    1.16991e+03   -2.74716e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35986e+03    1.04043e+05    2.77812e+05   -1.71910e+04   -2.14638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21801e+04   -1.72830e+06    3.49796e+05   -1.37850e+06   -1.34066e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13929e+02   -2.12032e+02   -2.72242e+01    3.93979e-06

           Step           Time
        5465000    10930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57133e+03    1.84326e+04    1.23988e+04    9.61423e+02   -2.78720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45960e+03    1.03712e+05    2.77503e+05   -1.71557e+04   -2.14622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24142e+04   -1.72871e+06    3.47061e+05   -1.38165e+06   -1.34059e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11473e+02   -2.11165e+02   -6.96509e+01    4.01791e-06

           Step           Time
        5470000    10940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40389e+03    1.84551e+04    1.24306e+04    1.06627e+03   -2.84939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56676e+03    1.04156e+05    2.80458e+05   -1.71473e+04   -2.15028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21970e+04   -1.72954e+06    3.50114e+05   -1.37943e+06   -1.34059e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14213e+02   -2.10958e+02    1.41950e+02    4.11921e-06

           Step           Time
        5475000    10950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48952e+03    1.83872e+04    1.22918e+04    1.09287e+03   -2.77985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53661e+03    1.03788e+05    2.82365e+05   -1.71936e+04   -2.15219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20799e+04   -1.73014e+06    3.46831e+05   -1.38330e+06   -1.34054e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11268e+02   -2.12099e+02    2.29411e+02    4.10340e-06

           Step           Time
        5480000    10960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31287e+03    1.78961e+04    1.24727e+04    1.10367e+03   -2.81182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44782e+03    1.04387e+05    2.79955e+05   -1.72326e+04   -2.15178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18753e+04   -1.73237e+06    3.46830e+05   -1.38554e+06   -1.34048e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11267e+02   -2.13059e+02    8.08898e+01    4.01699e-06

           Step           Time
        5485000    10970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35630e+03    1.81026e+04    1.24963e+04    1.13418e+03   -2.83868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60981e+03    1.04214e+05    2.78684e+05   -1.71638e+04   -2.14718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23206e+04   -1.72827e+06    3.48029e+05   -1.38024e+06   -1.34047e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12343e+02   -2.11364e+02    4.23494e+01    4.14600e-06

           Step           Time
        5490000    10980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42228e+03    1.81001e+04    1.23741e+04    1.06329e+03   -2.86075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52705e+03    1.04388e+05    2.80030e+05   -1.71554e+04   -2.14927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23754e+04   -1.72900e+06    3.47911e+05   -1.38109e+06   -1.34046e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12237e+02   -2.11158e+02    3.38132e+01    4.09401e-06

           Step           Time
        5495000    10990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42637e+03    1.79372e+04    1.24916e+04    1.12204e+03   -2.86315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56765e+03    1.04343e+05    2.77139e+05   -1.71644e+04   -2.14732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22613e+04   -1.73006e+06    3.46366e+05   -1.38370e+06   -1.34038e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10850e+02   -2.11379e+02   -7.75176e+01    4.09903e-06

           Step           Time
        5500000    11000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50159e+03    1.85161e+04    1.26649e+04    1.18503e+03   -2.95758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50334e+03    1.04216e+05    2.77314e+05   -1.71211e+04   -2.14605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22394e+04   -1.72799e+06    3.49239e+05   -1.37875e+06   -1.34034e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13428e+02   -2.10314e+02   -8.51287e+01    4.12716e-06

           Step           Time
        5505000    11010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30208e+03    1.82340e+04    1.22782e+04    1.13453e+03   -2.75325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56518e+03    1.03649e+05    2.81291e+05   -1.71475e+04   -2.15032e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21840e+04   -1.72958e+06    3.47019e+05   -1.38256e+06   -1.34036e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11436e+02   -2.10963e+02    1.09599e+02    3.95908e-06

           Step           Time
        5510000    11020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56284e+03    1.82402e+04    1.25251e+04    1.08203e+03   -2.84784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52824e+03    1.04580e+05    2.79224e+05   -1.71233e+04   -2.15064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20026e+04   -1.73087e+06    3.49270e+05   -1.38160e+06   -1.34031e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13457e+02   -2.10368e+02   -1.11551e+01    3.86385e-06

           Step           Time
        5515000    11030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41058e+03    1.81391e+04    1.25144e+04    1.08309e+03   -2.92693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63673e+03    1.04223e+05    2.78965e+05   -1.71537e+04   -2.14820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22163e+04   -1.72910e+06    3.49258e+05   -1.37984e+06   -1.34031e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13446e+02   -2.11116e+02    2.76610e+01    3.93292e-06

           Step           Time
        5520000    11040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42679e+03    1.83454e+04    1.25745e+04    1.07081e+03   -2.78647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61183e+03    1.03751e+05    2.77483e+05   -1.71285e+04   -2.14711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20276e+04   -1.72973e+06    3.49080e+05   -1.38065e+06   -1.34029e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13286e+02   -2.10497e+02   -8.61324e+01    4.24013e-06

           Step           Time
        5525000    11050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64765e+03    1.86376e+04    1.23861e+04    1.14168e+03   -2.87954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55989e+03    1.03724e+05    2.77290e+05   -1.71568e+04   -2.14704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19670e+04   -1.72972e+06    3.49172e+05   -1.38055e+06   -1.34020e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13368e+02   -2.11191e+02   -6.74880e+01    4.07187e-06

           Step           Time
        5530000    11060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53812e+03    1.85423e+04    1.26984e+04    1.11945e+03   -2.91485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47076e+03    1.03832e+05    2.79845e+05   -1.71533e+04   -2.15107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20922e+04   -1.73100e+06    3.49479e+05   -1.38153e+06   -1.34017e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13643e+02   -2.11105e+02    1.95371e+00    3.98071e-06

           Step           Time
        5535000    11070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55295e+03    1.84733e+04    1.25909e+04    1.06755e+03   -2.84060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51060e+03    1.04197e+05    2.78999e+05   -1.71559e+04   -2.14901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21152e+04   -1.72950e+06    3.50206e+05   -1.37929e+06   -1.34016e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14297e+02   -2.11169e+02   -4.00632e+01    4.04794e-06

           Step           Time
        5540000    11080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70509e+03    1.84291e+04    1.24378e+04    1.09811e+03   -2.77196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49944e+03    1.03923e+05    2.79081e+05   -1.71482e+04   -2.14876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22797e+04   -1.72922e+06    3.50549e+05   -1.37867e+06   -1.34011e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14604e+02   -2.10980e+02   -2.69241e+01    4.08353e-06

           Step           Time
        5545000    11090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70239e+03    1.82495e+04    1.23185e+04    1.09501e+03   -2.77399e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41448e+03    1.04014e+05    2.79932e+05   -1.71366e+04   -2.14979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21895e+04   -1.72979e+06    3.48966e+05   -1.38082e+06   -1.34007e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13183e+02   -2.10696e+02   -3.72853e+01    3.97966e-06

           Step           Time
        5550000    11100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66887e+03    1.83729e+04    1.24297e+04    1.03533e+03   -2.84140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56290e+03    1.04007e+05    2.79392e+05   -1.71846e+04   -2.14862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19856e+04   -1.72920e+06    3.48271e+05   -1.38092e+06   -1.34006e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12560e+02   -2.11875e+02    5.64832e+00    4.03230e-06

           Step           Time
        5555000    11110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48743e+03    1.85278e+04    1.23375e+04    1.04698e+03   -2.82388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66575e+03    1.04112e+05    2.80303e+05   -1.71310e+04   -2.14983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20624e+04   -1.72924e+06    3.48195e+05   -1.38105e+06   -1.34000e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12491e+02   -2.10558e+02    2.60608e+01    3.97454e-06

           Step           Time
        5560000    11120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51736e+03    1.83537e+04    1.25107e+04    1.00522e+03   -2.94961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50079e+03    1.04094e+05    2.80247e+05   -1.72015e+04   -2.14910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21176e+04   -1.72891e+06    3.46461e+05   -1.38245e+06   -1.33999e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10935e+02   -2.12292e+02    6.96732e+01    3.98668e-06

           Step           Time
        5565000    11130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44360e+03    1.84006e+04    1.24610e+04    1.16950e+03   -2.79407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64606e+03    1.03704e+05    2.79376e+05   -1.71719e+04   -2.14788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21338e+04   -1.72851e+06    3.49698e+05   -1.37881e+06   -1.33999e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13840e+02   -2.11563e+02    7.75468e+01    4.02003e-06

           Step           Time
        5570000    11140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66550e+03    1.84073e+04    1.24218e+04    1.16263e+03   -2.84766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49839e+03    1.03841e+05    2.79363e+05   -1.71834e+04   -2.14917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20793e+04   -1.72976e+06    3.51304e+05   -1.37846e+06   -1.33996e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15281e+02   -2.11845e+02   -1.99524e+01    4.17495e-06

           Step           Time
        5575000    11150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55727e+03    1.82694e+04    1.24108e+04    1.07997e+03   -3.01979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47108e+03    1.04374e+05    2.77655e+05   -1.71810e+04   -2.14709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20742e+04   -1.72940e+06    3.47392e+05   -1.38201e+06   -1.33989e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11771e+02   -2.11786e+02   -3.16063e+01    4.15317e-06

           Step           Time
        5580000    11160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58497e+03    1.85873e+04    1.23542e+04    9.69207e+02   -2.83822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64464e+03    1.03979e+05    2.79785e+05   -1.71472e+04   -2.15009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23331e+04   -1.72984e+06    3.51091e+05   -1.37875e+06   -1.33989e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15090e+02   -2.10956e+02    6.46656e+01    4.03123e-06

           Step           Time
        5585000    11170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51628e+03    1.79879e+04    1.25815e+04    1.09692e+03   -2.94743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51229e+03    1.04246e+05    2.79280e+05   -1.72033e+04   -2.15445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21479e+04   -1.73523e+06    3.48260e+05   -1.38697e+06   -1.33983e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12550e+02   -2.12337e+02   -4.09949e+01    4.00500e-06

           Step           Time
        5590000    11180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54858e+03    1.85634e+04    1.25875e+04    1.19046e+03   -2.76805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44702e+03    1.03803e+05    2.77238e+05   -1.71252e+04   -2.14688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22251e+04   -1.72917e+06    3.49736e+05   -1.37943e+06   -1.33984e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13874e+02   -2.10416e+02   -6.43881e+01    4.02965e-06

           Step           Time
        5595000    11190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37732e+03    1.80633e+04    1.24248e+04    1.15814e+03   -2.68154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66455e+03    1.04386e+05    2.74150e+05   -1.71505e+04   -2.14305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21283e+04   -1.72853e+06    3.48567e+05   -1.37996e+06   -1.33979e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12825e+02   -2.11037e+02   -1.36576e+02    4.00203e-06

           Step           Time
        5600000    11200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.22813e+03    1.79921e+04    1.23151e+04    1.16010e+03   -2.83059e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48083e+03    1.04558e+05    2.77836e+05   -1.71459e+04   -2.14924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20502e+04   -1.73160e+06    3.48131e+05   -1.38347e+06   -1.33977e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12434e+02   -2.10923e+02   -9.83884e+01    3.91172e-06

           Step           Time
        5605000    11210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67341e+03    1.83222e+04    1.23903e+04    1.06912e+03   -2.85098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38482e+03    1.04614e+05    2.80473e+05   -1.71857e+04   -2.15069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21154e+04   -1.72968e+06    3.48006e+05   -1.38168e+06   -1.33973e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12321e+02   -2.11903e+02    9.59139e+00    4.09693e-06

           Step           Time
        5610000    11220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49360e+03    1.86711e+04    1.23882e+04    1.02510e+03   -2.77659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56907e+03    1.04182e+05    2.78204e+05   -1.71211e+04   -2.14481e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22486e+04   -1.72593e+06    3.47248e+05   -1.37868e+06   -1.33970e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11642e+02   -2.10314e+02   -2.42346e+01    3.95391e-06

           Step           Time
        5615000    11230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46286e+03    1.81627e+04    1.23526e+04    1.03818e+03   -2.75398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50439e+03    1.04348e+05    2.78960e+05   -1.71804e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22709e+04   -1.73003e+06    3.47597e+05   -1.38244e+06   -1.33966e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11955e+02   -2.11773e+02    1.10898e+01    3.99580e-06

           Step           Time
        5620000    11240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81972e+03    1.81730e+04    1.24423e+04    1.01332e+03   -2.77695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55813e+03    1.04442e+05    2.77466e+05   -1.71926e+04   -2.14814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21855e+04   -1.73001e+06    3.50064e+05   -1.37994e+06   -1.33962e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14168e+02   -2.12073e+02   -8.53369e+01    3.96669e-06

           Step           Time
        5625000    11250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56103e+03    1.81042e+04    1.26574e+04    1.13807e+03   -2.79242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58451e+03    1.04314e+05    2.79204e+05   -1.72062e+04   -2.14972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20398e+04   -1.73012e+06    3.48500e+05   -1.38162e+06   -1.33960e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12765e+02   -2.12409e+02    5.04290e+01    3.99579e-06

           Step           Time
        5630000    11260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47462e+03    1.79265e+04    1.24602e+04    1.08904e+03   -2.82252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45792e+03    1.04220e+05    2.78375e+05   -1.71767e+04   -2.14764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21102e+04   -1.72952e+06    3.49289e+05   -1.38023e+06   -1.33963e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13473e+02   -2.11680e+02   -7.32354e+00    3.90281e-06

           Step           Time
        5635000    11270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40176e+03    1.82645e+04    1.26030e+04    1.04912e+03   -2.88300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49084e+03    1.04521e+05    2.80280e+05   -1.71756e+04   -2.15132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19597e+04   -1.73081e+06    3.46846e+05   -1.38396e+06   -1.33956e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11281e+02   -2.11654e+02    3.44231e+01    4.01202e-06

           Step           Time
        5640000    11280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59985e+03    1.80510e+04    1.24103e+04    1.12257e+03   -2.86626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55587e+03    1.03940e+05    2.77649e+05   -1.71613e+04   -2.14606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20193e+04   -1.72874e+06    3.48346e+05   -1.38040e+06   -1.33953e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12627e+02   -2.11302e+02   -2.82829e+01    4.00171e-06

           Step           Time
        5645000    11290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51050e+03    1.82727e+04    1.25781e+04    1.12774e+03   -2.92923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48175e+03    1.04388e+05    2.78491e+05   -1.71668e+04   -2.14807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21255e+04   -1.72919e+06    3.49480e+05   -1.37971e+06   -1.33948e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13644e+02   -2.11439e+02    2.43287e+01    4.01313e-06

           Step           Time
        5650000    11300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47858e+03    1.82183e+04    1.24078e+04    1.13187e+03   -2.81630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49190e+03    1.04006e+05    2.82194e+05   -1.72363e+04   -2.15289e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18778e+04   -1.73114e+06    3.49505e+05   -1.38163e+06   -1.33947e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13667e+02   -2.13152e+02    1.34598e+02    3.98772e-06

           Step           Time
        5655000    11310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77689e+03    1.82785e+04    1.25598e+04    1.09996e+03   -2.86771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51977e+03    1.03879e+05    2.78199e+05   -1.71941e+04   -2.14927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20804e+04   -1.73094e+06    3.48898e+05   -1.38204e+06   -1.33942e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13123e+02   -2.12110e+02   -8.80652e+01    3.95812e-06

           Step           Time
        5660000    11320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63026e+03    1.84056e+04    1.24393e+04    1.03583e+03   -2.80025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49460e+03    1.03967e+05    2.78143e+05   -1.71472e+04   -2.14663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20754e+04   -1.72839e+06    3.49716e+05   -1.37867e+06   -1.33938e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13857e+02   -2.10956e+02   -9.55869e+01    4.09242e-06

           Step           Time
        5665000    11330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45763e+03    1.83523e+04    1.23710e+04    1.21418e+03   -2.70713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61657e+03    1.04233e+05    2.76739e+05   -1.71653e+04   -2.14482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22004e+04   -1.72750e+06    3.49812e+05   -1.37769e+06   -1.33936e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13943e+02   -2.11400e+02   -7.04115e+01    3.98560e-06

           Step           Time
        5670000    11340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52486e+03    1.85332e+04    1.26057e+04    1.11591e+03   -2.83923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45779e+03    1.03888e+05    2.79533e+05   -1.71708e+04   -2.14871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21088e+04   -1.72896e+06    3.48779e+05   -1.38018e+06   -1.33931e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13015e+02   -2.11537e+02    9.77220e+01    4.17399e-06

           Step           Time
        5675000    11350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49652e+03    1.83348e+04    1.24236e+04    1.06813e+03   -2.81243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40829e+03    1.04052e+05    2.78057e+05   -1.71588e+04   -2.14691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20768e+04   -1.72896e+06    3.49301e+05   -1.37966e+06   -1.33932e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13484e+02   -2.11240e+02   -3.84130e+01    3.93601e-06

           Step           Time
        5680000    11360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50750e+03    1.82938e+04    1.22428e+04    1.10437e+03   -2.81399e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62210e+03    1.03967e+05    2.80324e+05   -1.71457e+04   -2.14941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21184e+04   -1.72919e+06    3.48101e+05   -1.38109e+06   -1.33926e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12407e+02   -2.10919e+02    6.54054e+01    3.94667e-06

           Step           Time
        5685000    11370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62539e+03    1.84030e+04    1.25184e+04    1.03808e+03   -2.74203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44869e+03    1.03938e+05    2.80611e+05   -1.72187e+04   -2.15166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20694e+04   -1.73097e+06    3.47518e+05   -1.38345e+06   -1.33919e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11884e+02   -2.12717e+02    1.23780e+02    3.98720e-06

           Step           Time
        5690000    11380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80440e+03    1.87575e+04    1.27568e+04    1.09469e+03   -2.94794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47278e+03    1.03399e+05    2.80178e+05   -1.71862e+04   -2.14909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18242e+04   -1.72893e+06    3.51378e+05   -1.37756e+06   -1.33923e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15348e+02   -2.11916e+02    6.28122e+01    4.08499e-06

           Step           Time
        5695000    11390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71239e+03    1.85220e+04    1.25055e+04    1.15021e+03   -2.79498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54537e+03    1.03337e+05    2.79666e+05   -1.71667e+04   -2.14757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22272e+04   -1.72787e+06    3.49536e+05   -1.37833e+06   -1.33920e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13695e+02   -2.11435e+02    7.71811e+01    4.12373e-06

           Step           Time
        5700000    11400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67916e+03    1.84301e+04    1.23501e+04    1.09385e+03   -2.83926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56897e+03    1.03351e+05    2.78171e+05   -1.71571e+04   -2.14614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23826e+04   -1.72811e+06    3.49373e+05   -1.37873e+06   -1.33915e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13549e+02   -2.11199e+02    1.48442e+01    4.19539e-06

           Step           Time
        5705000    11410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25364e+03    1.84517e+04    1.25361e+04    1.06113e+03   -2.86176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46389e+03    1.03655e+05    2.80219e+05   -1.71304e+04   -2.14885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20210e+04   -1.72918e+06    3.47990e+05   -1.38119e+06   -1.33912e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12308e+02   -2.10542e+02    3.65700e+01    4.01758e-06

           Step           Time
        5710000    11420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44971e+03    1.84084e+04    1.23067e+04    1.16157e+03   -2.81062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59143e+03    1.03338e+05    2.79387e+05   -1.71943e+04   -2.14813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21290e+04   -1.72937e+06    3.50202e+05   -1.37916e+06   -1.33909e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14293e+02   -2.12114e+02    1.11973e+02    4.22726e-06

           Step           Time
        5715000    11430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66360e+03    1.80033e+04    1.24158e+04    1.10470e+03   -3.03592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55453e+03    1.03883e+05    2.78485e+05   -1.70998e+04   -2.14855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23025e+04   -1.73027e+06    3.47892e+05   -1.38238e+06   -1.33903e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12220e+02   -2.09792e+02   -1.30702e+02    4.04315e-06

           Step           Time
        5720000    11440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44602e+03    1.84253e+04    1.24486e+04    1.06195e+03   -2.88944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49920e+03    1.03829e+05    2.80051e+05   -1.71626e+04   -2.15268e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21284e+04   -1.73284e+06    3.48213e+05   -1.38463e+06   -1.33897e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12507e+02   -2.11335e+02   -1.94620e+00    4.01252e-06

           Step           Time
        5725000    11450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46773e+03    1.79126e+04    1.25598e+04    1.02260e+03   -2.89243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40786e+03    1.03787e+05    2.79322e+05   -1.71483e+04   -2.14880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19815e+04   -1.73038e+06    3.48154e+05   -1.38223e+06   -1.33898e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12454e+02   -2.10983e+02   -5.00284e+01    4.02521e-06

           Step           Time
        5730000    11460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51874e+03    1.82179e+04    1.25157e+04    1.13616e+03   -2.79519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53480e+03    1.03758e+05    2.78374e+05   -1.71833e+04   -2.14775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21104e+04   -1.72956e+06    3.50381e+05   -1.37918e+06   -1.33894e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14453e+02   -2.11844e+02   -2.36803e+01    4.20991e-06

           Step           Time
        5735000    11470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29279e+03    1.79108e+04    1.24160e+04    1.12515e+03   -2.75060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54844e+03    1.03957e+05    2.79613e+05   -1.71899e+04   -2.15057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19624e+04   -1.73168e+06    3.48821e+05   -1.38286e+06   -1.33892e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13053e+02   -2.12005e+02    5.20767e+01    3.86973e-06

           Step           Time
        5740000    11480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56434e+03    1.81422e+04    1.24864e+04    1.11898e+03   -2.82636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48236e+03    1.03584e+05    2.79278e+05   -1.71416e+04   -2.14858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21662e+04   -1.72972e+06    3.49785e+05   -1.37994e+06   -1.33890e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13919e+02   -2.10818e+02    2.26252e+01    4.04080e-06

           Step           Time
        5745000    11490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44844e+03    1.79714e+04    1.24142e+04    1.11544e+03   -2.92834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46480e+03    1.04155e+05    2.78722e+05   -1.71794e+04   -2.14905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21836e+04   -1.73068e+06    3.47775e+05   -1.38291e+06   -1.33882e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12115e+02   -2.11748e+02   -2.58778e+01    4.07202e-06

           Step           Time
        5750000    11500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56908e+03    1.76993e+04    1.25725e+04    1.08396e+03   -2.86794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56055e+03    1.04117e+05    2.78104e+05   -1.71547e+04   -2.14703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21892e+04   -1.72916e+06    3.48211e+05   -1.38095e+06   -1.33882e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12506e+02   -2.11140e+02   -5.57332e+01    3.98150e-06

           Step           Time
        5755000    11510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44405e+03    1.85366e+04    1.25356e+04    9.64479e+02   -2.79107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46915e+03    1.04055e+05    2.76597e+05   -1.71689e+04   -2.14494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22567e+04   -1.72804e+06    3.48467e+05   -1.37957e+06   -1.33874e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12736e+02   -2.11491e+02   -6.70578e+01    4.00624e-06

           Step           Time
        5760000    11520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46259e+03    1.83420e+04    1.25120e+04    1.11011e+03   -2.77986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54252e+03    1.03409e+05    2.81249e+05   -1.71434e+04   -2.15044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20994e+04   -1.72963e+06    3.48160e+05   -1.38147e+06   -1.33872e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12460e+02   -2.10862e+02    5.51408e+01    4.23105e-06

           Step           Time
        5765000    11530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63671e+03    1.84015e+04    1.23667e+04    1.10750e+03   -2.81911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48729e+03    1.03565e+05    2.76628e+05   -1.71616e+04   -2.14625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23302e+04   -1.72971e+06    3.50029e+05   -1.37968e+06   -1.33871e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14137e+02   -2.11309e+02   -1.19503e+02    3.93333e-06

           Step           Time
        5770000    11540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31348e+03    1.86989e+04    1.24456e+04    1.13343e+03   -2.77162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47255e+03    1.03812e+05    2.76508e+05   -1.71380e+04   -2.14268e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22376e+04   -1.72596e+06    3.48829e+05   -1.37713e+06   -1.33864e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13060e+02   -2.10730e+02   -4.26837e+00    4.02658e-06

           Step           Time
        5775000    11550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85292e+03    1.80171e+04    1.24631e+04    1.15294e+03   -2.81610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49768e+03    1.03459e+05    2.77391e+05   -1.71473e+04   -2.14642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21197e+04   -1.72943e+06    3.48805e+05   -1.38062e+06   -1.33862e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13039e+02   -2.10958e+02   -1.67577e+02    4.03447e-06

           Step           Time
        5780000    11560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45681e+03    1.82741e+04    1.23603e+04    1.03594e+03   -2.81405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41771e+03    1.03561e+05    2.76627e+05   -1.71823e+04   -2.14719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20759e+04   -1.73138e+06    3.48287e+05   -1.38309e+06   -1.33859e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12574e+02   -2.11819e+02   -1.16395e+02    3.96136e-06

           Step           Time
        5785000    11570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61622e+03    1.84142e+04    1.22683e+04    1.13589e+03   -2.71045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45850e+03    1.03959e+05    2.81867e+05   -1.71753e+04   -2.15176e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20753e+04   -1.72985e+06    3.49541e+05   -1.38031e+06   -1.33855e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13699e+02   -2.11646e+02    1.53906e+02    4.06881e-06

           Step           Time
        5790000    11580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43639e+03    1.83786e+04    1.25330e+04    1.02085e+03   -2.76076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61309e+03    1.04007e+05    2.77603e+05   -1.71476e+04   -2.14789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20991e+04   -1.73011e+06    3.49059e+05   -1.38105e+06   -1.33854e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13267e+02   -2.10966e+02    2.89954e+01    4.06553e-06

           Step           Time
        5795000    11590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38861e+03    1.83680e+04    1.26046e+04    1.09763e+03   -2.80717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46696e+03    1.04110e+05    2.78914e+05   -1.71743e+04   -2.14873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21850e+04   -1.72958e+06    3.48796e+05   -1.38078e+06   -1.33852e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13031e+02   -2.11622e+02   -2.70762e+01    4.00654e-06

           Step           Time
        5800000    11600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60957e+03    1.86126e+04    1.24062e+04    1.09267e+03   -2.89362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52977e+03    1.03393e+05    2.80688e+05   -1.71672e+04   -2.15068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20616e+04   -1.73035e+06    3.47407e+05   -1.38294e+06   -1.33846e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11785e+02   -2.11449e+02    4.04205e+01    3.94976e-06

           Step           Time
        5805000    11610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70263e+03    1.82950e+04    1.24008e+04    1.07059e+03   -2.81066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47408e+03    1.04147e+05    2.75989e+05   -1.71488e+04   -2.14662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19895e+04   -1.73052e+06    3.47860e+05   -1.38266e+06   -1.33842e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12190e+02   -2.10994e+02   -1.73966e+02    3.97297e-06

           Step           Time
        5810000    11620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29695e+03    1.78122e+04    1.23835e+04    1.11504e+03   -2.89041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66440e+03    1.04593e+05    2.79139e+05   -1.71840e+04   -2.14921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21998e+04   -1.73008e+06    3.48151e+05   -1.38193e+06   -1.33843e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12452e+02   -2.11860e+02    9.43497e+01    4.07115e-06

           Step           Time
        5815000    11630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30854e+03    1.81825e+04    1.24745e+04    1.12947e+03   -2.84054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60702e+03    1.03994e+05    2.83646e+05   -1.71761e+04   -2.15825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21536e+04   -1.73477e+06    3.48085e+05   -1.38669e+06   -1.33836e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12393e+02   -2.11667e+02    1.90175e+02    3.97035e-06

           Step           Time
        5820000    11640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47499e+03    1.81712e+04    1.25015e+04    1.10911e+03   -2.84650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51096e+03    1.04172e+05    2.81784e+05   -1.71693e+04   -2.15308e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23058e+04   -1.73107e+06    3.48132e+05   -1.38294e+06   -1.33832e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12435e+02   -2.11500e+02    6.00424e+01    4.02391e-06

           Step           Time
        5825000    11650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47104e+03    1.80651e+04    1.24842e+04    1.09191e+03   -2.84091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57780e+03    1.04119e+05    2.79359e+05   -1.71479e+04   -2.14889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23117e+04   -1.72940e+06    3.48156e+05   -1.38124e+06   -1.33829e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12457e+02   -2.10973e+02    4.36119e+00    4.05534e-06

           Step           Time
        5830000    11660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59079e+03    1.83318e+04    1.22120e+04    1.08943e+03   -2.87129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38700e+03    1.04245e+05    2.76633e+05   -1.71471e+04   -2.14376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20969e+04   -1.72720e+06    3.46739e+05   -1.38046e+06   -1.33824e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11185e+02   -2.10954e+02   -5.84533e+01    3.96335e-06

           Step           Time
        5835000    11670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48027e+03    1.81997e+04    1.24732e+04    1.04038e+03   -2.94178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62604e+03    1.04375e+05    2.75719e+05   -1.71495e+04   -2.14674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20123e+04   -1.73091e+06    3.47416e+05   -1.38349e+06   -1.33818e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11793e+02   -2.11012e+02   -1.45230e+02    3.88475e-06

           Step           Time
        5840000    11680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60742e+03    1.84081e+04    1.24446e+04    1.10721e+03   -2.77593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55004e+03    1.04320e+05    2.78867e+05   -1.71340e+04   -2.14791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19669e+04   -1.72855e+06    3.48467e+05   -1.38008e+06   -1.33814e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12736e+02   -2.10632e+02   -4.98480e+01    3.92926e-06

           Step           Time
        5845000    11690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57965e+03    1.78220e+04    1.24319e+04    1.10422e+03   -2.89482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54200e+03    1.03915e+05    2.80138e+05   -1.71647e+04   -2.15035e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22024e+04   -1.73067e+06    3.48509e+05   -1.38216e+06   -1.33815e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12773e+02   -2.11387e+02    1.26245e+01    3.86658e-06

           Step           Time
        5850000    11700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50130e+03    1.81231e+04    1.23758e+04    1.19155e+03   -2.78645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50461e+03    1.03997e+05    2.78926e+05   -1.71475e+04   -2.15034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20839e+04   -1.73157e+06    3.48134e+05   -1.38343e+06   -1.33814e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12437e+02   -2.10963e+02   -3.77849e+01    3.94601e-06

           Step           Time
        5855000    11710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54763e+03    1.83159e+04    1.25194e+04    1.19777e+03   -2.82566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59987e+03    1.03459e+05    2.80516e+05   -1.71911e+04   -2.15357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20572e+04   -1.73337e+06    3.48099e+05   -1.38527e+06   -1.33808e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12405e+02   -2.12037e+02    5.35391e+01    3.93499e-06

           Step           Time
        5860000    11720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45821e+03    1.82428e+04    1.22372e+04    1.08413e+03   -2.82752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.28106e+03    1.04061e+05    2.76789e+05   -1.71374e+04   -2.14807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20012e+04   -1.73188e+06    3.48394e+05   -1.38349e+06   -1.33808e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12670e+02   -2.10715e+02   -1.78243e+02    4.12753e-06

           Step           Time
        5865000    11730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42295e+03    1.82028e+04    1.22218e+04    1.11172e+03   -2.72152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50431e+03    1.04477e+05    2.83444e+05   -1.72335e+04   -2.15537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17652e+04   -1.73217e+06    3.47424e+05   -1.38475e+06   -1.33801e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11799e+02   -2.13082e+02    2.01351e+02    4.00383e-06

           Step           Time
        5870000    11740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54032e+03    1.83782e+04    1.21691e+04    1.09418e+03   -2.81362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44931e+03    1.03535e+05    2.80525e+05   -1.72369e+04   -2.15295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20244e+04   -1.73328e+06    3.47911e+05   -1.38537e+06   -1.33795e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12237e+02   -2.13165e+02    2.45949e+01    3.93353e-06

           Step           Time
        5875000    11750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52015e+03    1.80614e+04    1.26406e+04    1.17760e+03   -2.78915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61298e+03    1.03682e+05    2.80466e+05   -1.71183e+04   -2.15027e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19945e+04   -1.73003e+06    3.47612e+05   -1.38241e+06   -1.33800e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11968e+02   -2.10246e+02    5.89492e+01    4.03596e-06

           Step           Time
        5880000    11760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63212e+03    1.81019e+04    1.23659e+04    1.06814e+03   -2.88170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43111e+03    1.04065e+05    2.78525e+05   -1.71415e+04   -2.14854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19657e+04   -1.73041e+06    3.46906e+05   -1.38350e+06   -1.33791e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11334e+02   -2.10816e+02   -6.28428e+01    3.85332e-06

           Step           Time
        5885000    11770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53823e+03    1.82169e+04    1.25044e+04    1.18519e+03   -2.89979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42147e+03    1.04017e+05    2.76754e+05   -1.71586e+04   -2.14439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22445e+04   -1.72757e+06    3.48891e+05   -1.37868e+06   -1.33790e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13116e+02   -2.11235e+02   -9.55700e+01    4.08620e-06

           Step           Time
        5890000    11780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54481e+03    1.84351e+04    1.23202e+04    1.07626e+03   -2.83823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32023e+03    1.03467e+05    2.80940e+05   -1.72054e+04   -2.14964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21938e+04   -1.72938e+06    3.47149e+05   -1.38223e+06   -1.33788e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11552e+02   -2.12388e+02    1.01383e+02    3.99003e-06

           Step           Time
        5895000    11790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54628e+03    1.82476e+04    1.24747e+04    1.13871e+03   -2.91156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43423e+03    1.03898e+05    2.80976e+05   -1.71384e+04   -2.15190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20537e+04   -1.73118e+06    3.48723e+05   -1.38246e+06   -1.33787e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12965e+02   -2.10738e+02    1.81409e+01    4.08172e-06

           Step           Time
        5900000    11800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73436e+03    1.84666e+04    1.22921e+04    1.00431e+03   -2.75172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38870e+03    1.04036e+05    2.78999e+05   -1.72116e+04   -2.14905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22860e+04   -1.72981e+06    3.48393e+05   -1.38142e+06   -1.33779e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12669e+02   -2.12540e+02   -4.93726e+00    3.98938e-06

           Step           Time
        5905000    11810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40353e+03    1.84872e+04    1.24350e+04    1.11057e+03   -2.75029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50468e+03    1.03587e+05    2.79233e+05   -1.71989e+04   -2.15063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20639e+04   -1.73176e+06    3.47693e+05   -1.38407e+06   -1.33776e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12041e+02   -2.12228e+02   -1.58202e+01    4.00800e-06

Writing checkpoint, step 5908700 at Thu Dec  7 06:57:56 2023


           Step           Time
        5910000    11820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71516e+03    1.82798e+04    1.24130e+04    1.11706e+03   -2.76447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52374e+03    1.03534e+05    2.77544e+05   -1.71691e+04   -2.14617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21052e+04   -1.72887e+06    3.47872e+05   -1.38100e+06   -1.33775e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12202e+02   -2.11495e+02   -1.10731e+02    3.92494e-06

           Step           Time
        5915000    11830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51132e+03    1.81424e+04    1.23546e+04    1.13787e+03   -2.83117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45262e+03    1.03762e+05    2.82159e+05   -1.71507e+04   -2.15251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22659e+04   -1.73070e+06    3.46188e+05   -1.38452e+06   -1.33771e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10691e+02   -2.11043e+02    2.19016e+01    3.94930e-06

           Step           Time
        5920000    11840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59750e+03    1.81438e+04    1.24550e+04    1.08090e+03   -2.80472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42018e+03    1.03917e+05    2.82047e+05   -1.71763e+04   -2.15153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21683e+04   -1.72968e+06    3.51266e+05   -1.37842e+06   -1.33778e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15247e+02   -2.11672e+02    1.15393e+02    4.06797e-06

           Step           Time
        5925000    11850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47665e+03    1.80515e+04    1.25301e+04    1.13848e+03   -2.79054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53112e+03    1.03954e+05    2.78253e+05   -1.71971e+04   -2.14878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22934e+04   -1.73054e+06    3.47509e+05   -1.38303e+06   -1.33769e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11876e+02   -2.12183e+02    3.43700e+01    3.90658e-06

           Step           Time
        5930000    11860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49057e+03    1.83586e+04    1.25447e+04    1.08658e+03   -2.88286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46537e+03    1.03738e+05    2.77051e+05   -1.71619e+04   -2.14760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21307e+04   -1.73078e+06    3.49438e+05   -1.38135e+06   -1.33765e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13607e+02   -2.11318e+02   -7.31390e+01    4.18519e-06

           Step           Time
        5935000    11870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78481e+03    1.79623e+04    1.26211e+04    1.10801e+03   -2.82594e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42075e+03    1.03724e+05    2.80264e+05   -1.71715e+04   -2.15078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22492e+04   -1.73064e+06    3.49103e+05   -1.38154e+06   -1.33763e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13306e+02   -2.11553e+02   -2.53446e+01    3.97217e-06

           Step           Time
        5940000    11880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75159e+03    1.84973e+04    1.24212e+04    1.13284e+03   -2.78750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56190e+03    1.03287e+05    2.79678e+05   -1.71400e+04   -2.14818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21802e+04   -1.72860e+06    3.49638e+05   -1.37896e+06   -1.33758e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13787e+02   -2.10780e+02    4.87554e+01    3.96459e-06

           Step           Time
        5945000    11890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57193e+03    1.82310e+04    1.24460e+04    1.12946e+03   -2.89738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47200e+03    1.04400e+05    2.81630e+05   -1.71653e+04   -2.15266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23161e+04   -1.73052e+06    3.48464e+05   -1.38206e+06   -1.33751e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12732e+02   -2.11400e+02    7.47869e+01    4.09106e-06

           Step           Time
        5950000    11900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58151e+03    1.87754e+04    1.24527e+04    1.04110e+03   -2.81641e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50887e+03    1.03399e+05    2.76606e+05   -1.71596e+04   -2.14582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20446e+04   -1.72938e+06    3.46720e+05   -1.38266e+06   -1.33747e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11168e+02   -2.11260e+02   -1.17748e+02    3.94006e-06

           Step           Time
        5955000    11910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47005e+03    1.82748e+04    1.24989e+04    1.09506e+03   -2.95676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61455e+03    1.03871e+05    2.78509e+05   -1.71642e+04   -2.14906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20445e+04   -1.73080e+06    3.48338e+05   -1.38246e+06   -1.33746e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12620e+02   -2.11374e+02   -1.48583e+01    3.96432e-06

           Step           Time
        5960000    11920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59120e+03    1.78847e+04    1.24366e+04    1.06721e+03   -2.77019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56183e+03    1.04010e+05    2.79256e+05   -1.71681e+04   -2.15159e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21406e+04   -1.73258e+06    3.47752e+05   -1.38483e+06   -1.33741e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12094e+02   -2.11470e+02   -5.58295e+01    3.89041e-06

           Step           Time
        5965000    11930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41990e+03    1.81427e+04    1.22916e+04    1.05572e+03   -2.74557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60832e+03    1.04042e+05    2.78384e+05   -1.71659e+04   -2.14712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21727e+04   -1.72891e+06    3.47292e+05   -1.38162e+06   -1.33741e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11681e+02   -2.11416e+02   -1.39087e+01    4.01296e-06

           Step           Time
        5970000    11940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42011e+03    1.83100e+04    1.24061e+04    1.09211e+03   -2.71289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42662e+03    1.03687e+05    2.77077e+05   -1.71786e+04   -2.14678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20455e+04   -1.73021e+06    3.49527e+05   -1.38068e+06   -1.33737e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13687e+02   -2.11727e+02   -6.12954e+01    4.01618e-06

           Step           Time
        5975000    11950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60551e+03    1.83506e+04    1.24866e+04    1.09589e+03   -2.77121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38278e+03    1.03860e+05    2.79687e+05   -1.71586e+04   -2.14871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20895e+04   -1.72908e+06    3.48209e+05   -1.38087e+06   -1.33734e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12504e+02   -2.11237e+02   -3.48339e+01    3.95718e-06

           Step           Time
        5980000    11960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30082e+03    1.80459e+04    1.23763e+04    1.09718e+03   -2.80518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49876e+03    1.04027e+05    2.80141e+05   -1.71518e+04   -2.15102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21208e+04   -1.73137e+06    3.50088e+05   -1.38128e+06   -1.33734e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14190e+02   -2.11069e+02    3.67169e+01    4.18283e-06

           Step           Time
        5985000    11970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20860e+03    1.82189e+04    1.23236e+04    1.07508e+03   -2.66098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53802e+03    1.03894e+05    2.79023e+05   -1.71761e+04   -2.15014e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19749e+04   -1.73172e+06    3.48319e+05   -1.38340e+06   -1.33729e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12603e+02   -2.11666e+02   -3.98355e+01    4.08413e-06

           Step           Time
        5990000    11980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43618e+03    1.81570e+04    1.25219e+04    1.10878e+03   -2.84658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48475e+03    1.04438e+05    2.77817e+05   -1.71413e+04   -2.14359e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23165e+04   -1.72530e+06    3.50180e+05   -1.37512e+06   -1.33725e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14273e+02   -2.10810e+02    7.12436e+01    4.12708e-06

           Step           Time
        5995000    11990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51490e+03    1.80780e+04    1.23833e+04    1.07037e+03   -2.93111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59553e+03    1.04187e+05    2.77401e+05   -1.71565e+04   -2.14244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21340e+04   -1.72516e+06    3.49113e+05   -1.37605e+06   -1.33725e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13315e+02   -2.11185e+02    2.80522e+01    4.11747e-06

           Step           Time
        6000000    12000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60378e+03    1.83790e+04    1.24552e+04    1.16765e+03   -2.82419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43827e+03    1.04222e+05    2.80190e+05   -1.71777e+04   -2.14963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23614e+04   -1.72882e+06    3.47721e+05   -1.38110e+06   -1.33715e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12066e+02   -2.11707e+02    3.80379e+01    4.09357e-06

           Step           Time
        6005000    12010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37057e+03    1.84887e+04    1.25775e+04    1.06387e+03   -2.89913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49370e+03    1.04079e+05    2.81220e+05   -1.71940e+04   -2.15147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21350e+04   -1.73014e+06    3.48433e+05   -1.38170e+06   -1.33712e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12705e+02   -2.12107e+02    1.48637e+02    3.81559e-06

           Step           Time
        6010000    12020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40796e+03    1.85206e+04    1.25241e+04    1.11518e+03   -2.85644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45510e+03    1.03876e+05    2.80305e+05   -1.71982e+04   -2.14932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20727e+04   -1.72910e+06    3.48952e+05   -1.38015e+06   -1.33714e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13171e+02   -2.12212e+02    8.71474e+01    3.95884e-06

           Step           Time
        6015000    12030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56943e+03    1.82086e+04    1.24031e+04    1.05798e+03   -2.87019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53187e+03    1.04032e+05    2.79776e+05   -1.71547e+04   -2.15062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22160e+04   -1.73085e+06    3.49943e+05   -1.38091e+06   -1.33706e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14060e+02   -2.11140e+02    2.42711e+01    4.07081e-06

           Step           Time
        6020000    12040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23096e+03    1.84905e+04    1.22742e+04    9.86119e+02   -2.83917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52122e+03    1.03981e+05    2.79566e+05   -1.71677e+04   -2.14895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19899e+04   -1.72992e+06    3.49404e+05   -1.38051e+06   -1.33707e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13576e+02   -2.11460e+02    1.00558e+02    4.09155e-06

           Step           Time
        6025000    12050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42627e+03    1.83051e+04    1.25100e+04    1.09946e+03   -2.77661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53673e+03    1.03871e+05    2.80454e+05   -1.71760e+04   -2.15278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19539e+04   -1.73257e+06    3.49573e+05   -1.38300e+06   -1.33700e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13728e+02   -2.11665e+02    6.94535e+01    4.02435e-06

           Step           Time
        6030000    12060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61023e+03    1.85027e+04    1.24989e+04    1.10651e+03   -2.78011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46495e+03    1.03460e+05    2.79535e+05   -1.71524e+04   -2.15046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21729e+04   -1.73105e+06    3.49297e+05   -1.38175e+06   -1.33703e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13480e+02   -2.11083e+02   -2.73987e+01    4.06586e-06

           Step           Time
        6035000    12070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59846e+03    1.80896e+04    1.23956e+04    1.06447e+03   -2.70713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53859e+03    1.03481e+05    2.79752e+05   -1.71653e+04   -2.15257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19027e+04   -1.73361e+06    3.47535e+05   -1.38608e+06   -1.33695e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11899e+02   -2.11401e+02   -5.24591e+01    3.95987e-06

           Step           Time
        6040000    12080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71317e+03    1.80875e+04    1.23061e+04    1.08447e+03   -2.83023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41869e+03    1.03673e+05    2.78551e+05   -1.71551e+04   -2.14913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18739e+04   -1.73141e+06    3.49240e+05   -1.38217e+06   -1.33695e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13429e+02   -2.11150e+02   -1.00150e+02    4.04513e-06

           Step           Time
        6045000    12090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60178e+03    1.80287e+04    1.22721e+04    9.70603e+02   -2.81370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54054e+03    1.03939e+05    2.77741e+05   -1.71578e+04   -2.14982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20578e+04   -1.73264e+06    3.49252e+05   -1.38339e+06   -1.33694e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13440e+02   -2.11217e+02   -7.66066e+01    4.11947e-06

           Step           Time
        6050000    12100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42730e+03    1.83833e+04    1.25168e+04    1.06903e+03   -2.81825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46110e+03    1.03943e+05    2.80347e+05   -1.72026e+04   -2.15149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19330e+04   -1.73143e+06    3.49095e+05   -1.38233e+06   -1.33685e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13299e+02   -2.12319e+02    1.30718e+01    3.96740e-06

           Step           Time
        6055000    12110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40390e+03    1.84107e+04    1.24946e+04    1.10513e+03   -2.95052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56399e+03    1.04202e+05    2.79433e+05   -1.71646e+04   -2.14822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20490e+04   -1.72868e+06    3.49104e+05   -1.37957e+06   -1.33681e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13307e+02   -2.11383e+02    4.05618e+01    3.79494e-06

           Step           Time
        6060000    12120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45745e+03    1.79716e+04    1.25545e+04    1.14758e+03   -2.96010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47404e+03    1.04014e+05    2.80681e+05   -1.71712e+04   -2.15294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21008e+04   -1.73267e+06    3.48463e+05   -1.38421e+06   -1.33680e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12732e+02   -2.11547e+02    9.73324e+01    3.87641e-06

           Step           Time
        6065000    12130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66793e+03    1.82192e+04    1.25401e+04    1.20471e+03   -2.86747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52596e+03    1.04525e+05    2.81498e+05   -1.72021e+04   -2.15187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22225e+04   -1.72954e+06    3.48220e+05   -1.38132e+06   -1.33671e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12514e+02   -2.12307e+02    1.44941e+02    4.12094e-06

           Step           Time
        6070000    12140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51584e+03    1.80886e+04    1.24101e+04    1.08423e+03   -2.81122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53869e+03    1.04265e+05    2.79310e+05   -1.71872e+04   -2.14896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20505e+04   -1.72969e+06    3.47568e+05   -1.38212e+06   -1.33672e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11929e+02   -2.11940e+02    1.92976e+01    3.94977e-06

           Step           Time
        6075000    12150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55078e+03    1.81469e+04    1.24034e+04    1.06456e+03   -2.72472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55786e+03    1.03841e+05    2.78375e+05   -1.71500e+04   -2.14761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21688e+04   -1.72937e+06    3.48310e+05   -1.38106e+06   -1.33674e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12594e+02   -2.11024e+02    1.46835e-01    3.90519e-06

           Step           Time
        6080000    12160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28635e+03    1.82261e+04    1.23256e+04    1.14253e+03   -2.79797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41193e+03    1.03970e+05    2.81164e+05   -1.71697e+04   -2.15172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19645e+04   -1.73120e+06    3.47529e+05   -1.38367e+06   -1.33670e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11894e+02   -2.11509e+02    4.97922e+01    4.00140e-06

           Step           Time
        6085000    12170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58680e+03    1.87073e+04    1.24188e+04    1.08244e+03   -2.90677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46918e+03    1.04039e+05    2.78989e+05   -1.71243e+04   -2.14776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18734e+04   -1.72862e+06    3.50473e+05   -1.37815e+06   -1.33666e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14536e+02   -2.10393e+02   -4.47595e+01    4.22185e-06

           Step           Time
        6090000    12180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84694e+03    1.85351e+04    1.24104e+04    9.86695e+02   -2.71887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46892e+03    1.04114e+05    2.80216e+05   -1.71651e+04   -2.15231e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23998e+04   -1.73121e+06    3.50778e+05   -1.38044e+06   -1.33662e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14810e+02   -2.11396e+02    1.75604e+01    3.86139e-06

           Step           Time
        6095000    12190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76422e+03    1.89700e+04    1.22991e+04    1.07714e+03   -2.77000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41825e+03    1.04128e+05    2.78115e+05   -1.71465e+04   -2.14709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23092e+04   -1.72793e+06    3.50388e+05   -1.37754e+06   -1.33657e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14460e+02   -2.10940e+02   -3.12420e+01    3.89623e-06

           Step           Time
        6100000    12200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56413e+03    1.79627e+04    1.25126e+04    9.96603e+02   -2.86860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43471e+03    1.04718e+05    2.79578e+05   -1.71336e+04   -2.15156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21813e+04   -1.73161e+06    3.47704e+05   -1.38391e+06   -1.33654e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12051e+02   -2.10622e+02   -9.53552e+01    3.98573e-06

           Step           Time
        6105000    12210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72520e+03    1.85281e+04    1.21949e+04    1.12476e+03   -2.75940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43611e+03    1.03717e+05    2.79994e+05   -1.71945e+04   -2.15117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21321e+04   -1.73127e+06    3.48304e+05   -1.38297e+06   -1.33648e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12589e+02   -2.12120e+02   -2.83683e+00    3.99709e-06

           Step           Time
        6110000    12220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51456e+03    1.80528e+04    1.25079e+04    1.01734e+03   -2.89456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48696e+03    1.04395e+05    2.76233e+05   -1.71070e+04   -2.14743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21460e+04   -1.73108e+06    3.48366e+05   -1.38272e+06   -1.33647e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12645e+02   -2.09969e+02   -2.00752e+02    4.09839e-06

           Step           Time
        6115000    12230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65734e+03    1.85813e+04    1.24889e+04    1.03817e+03   -2.84261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39248e+03    1.03907e+05    2.79193e+05   -1.71146e+04   -2.14883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22133e+04   -1.72932e+06    3.49849e+05   -1.37947e+06   -1.33641e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13976e+02   -2.10156e+02   -3.93099e+01    4.05864e-06

           Step           Time
        6120000    12240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48022e+03    1.81448e+04    1.24313e+04    1.14396e+03   -2.96687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67005e+03    1.04199e+05    2.80371e+05   -1.71582e+04   -2.15068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21530e+04   -1.73021e+06    3.48320e+05   -1.38189e+06   -1.33642e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12603e+02   -2.11227e+02    4.96652e+01    3.95779e-06

           Step           Time
        6125000    12250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25604e+03    1.83328e+04    1.25729e+04    1.16541e+03   -2.88036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61285e+03    1.04473e+05    2.81558e+05   -1.71790e+04   -2.15259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21156e+04   -1.73056e+06    3.49854e+05   -1.38071e+06   -1.33635e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13980e+02   -2.11738e+02    1.48833e+02    4.24736e-06

           Step           Time
        6130000    12260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30282e+03    1.86278e+04    1.24285e+04    1.01764e+03   -2.84649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54932e+03    1.04585e+05    2.78121e+05   -1.71487e+04   -2.14600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22444e+04   -1.72712e+06    3.48113e+05   -1.37900e+06   -1.33631e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12417e+02   -2.10994e+02   -2.47331e+01    3.90823e-06

           Step           Time
        6135000    12270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50247e+03    1.84834e+04    1.24439e+04    1.16875e+03   -2.93417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60920e+03    1.04176e+05    2.78081e+05   -1.71793e+04   -2.14742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21286e+04   -1.72894e+06    3.50005e+05   -1.37893e+06   -1.33631e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14116e+02   -2.11745e+02    6.55281e-01    4.12177e-06

           Step           Time
        6140000    12280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40989e+03    1.80144e+04    1.23450e+04    1.08769e+03   -2.88494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35125e+03    1.04297e+05    2.80721e+05   -1.71674e+04   -2.15489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21679e+04   -1.73455e+06    3.48339e+05   -1.38621e+06   -1.33630e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12621e+02   -2.11452e+02   -8.54995e+01    4.00254e-06

           Step           Time
        6145000    12290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46600e+03    1.85393e+04    1.24703e+04    1.06476e+03   -2.90391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54687e+03    1.04920e+05    2.81538e+05   -1.71818e+04   -2.15224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21257e+04   -1.72965e+06    3.48723e+05   -1.38093e+06   -1.33618e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12965e+02   -2.11806e+02    1.52066e+02    3.99737e-06

           Step           Time
        6150000    12300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65347e+03    1.86538e+04    1.23921e+04    1.04534e+03   -2.84569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49351e+03    1.04177e+05    2.76224e+05   -1.71853e+04   -2.14649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19829e+04   -1.72990e+06    3.48813e+05   -1.38108e+06   -1.33619e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13046e+02   -2.11894e+02   -1.49831e+02    4.09156e-06

           Step           Time
        6155000    12310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66484e+03    1.84093e+04    1.24728e+04    1.05813e+03   -2.73686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56144e+03    1.04477e+05    2.78256e+05   -1.71363e+04   -2.14941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22870e+04   -1.73009e+06    3.48505e+05   -1.38159e+06   -1.33615e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12770e+02   -2.10688e+02   -6.12639e+01    4.10339e-06

           Step           Time
        6160000    12320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23867e+03    1.83074e+04    1.25582e+04    1.08364e+03   -2.90018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62105e+03    1.04627e+05    2.78586e+05   -1.72052e+04   -2.14837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19623e+04   -1.72949e+06    3.47713e+05   -1.38178e+06   -1.33611e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12059e+02   -2.12384e+02    7.50686e+01    3.88931e-06

           Step           Time
        6165000    12330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47786e+03    1.85385e+04    1.24626e+04    1.05634e+03   -2.89906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60530e+03    1.04494e+05    2.81355e+05   -1.71779e+04   -2.15290e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21778e+04   -1.73081e+06    3.47932e+05   -1.38288e+06   -1.33606e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12255e+02   -2.11710e+02    6.91590e+01    4.09476e-06

           Step           Time
        6170000    12340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54808e+03    1.82957e+04    1.23893e+04    1.11507e+03   -2.76915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45183e+03    1.03991e+05    2.79944e+05   -1.71443e+04   -2.14984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21540e+04   -1.72986e+06    3.47081e+05   -1.38278e+06   -1.33602e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11491e+02   -2.10885e+02    2.30723e+01    3.83120e-06

           Step           Time
        6175000    12350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51058e+03    1.84757e+04    1.25670e+04    1.11579e+03   -2.85014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61114e+03    1.03805e+05    2.80822e+05   -1.72186e+04   -2.15312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20559e+04   -1.73223e+06    3.48717e+05   -1.38351e+06   -1.33600e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12960e+02   -2.12713e+02    7.78675e+01    4.00905e-06

           Step           Time
        6180000    12360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26982e+03    1.80149e+04    1.26380e+04    1.07171e+03   -2.97740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54253e+03    1.03926e+05    2.80263e+05   -1.72052e+04   -2.15258e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19903e+04   -1.73304e+06    3.47986e+05   -1.38506e+06   -1.33602e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12304e+02   -2.12384e+02    5.94687e+01    3.92474e-06

           Step           Time
        6185000    12370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49510e+03    1.83867e+04    1.26100e+04    1.11221e+03   -3.02688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38957e+03    1.03845e+05    2.75686e+05   -1.71250e+04   -2.14499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21426e+04   -1.72948e+06    3.50890e+05   -1.37859e+06   -1.33601e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14911e+02   -2.10411e+02   -1.84484e+02    4.09856e-06

           Step           Time
        6190000    12380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51827e+03    1.81514e+04    1.25647e+04    1.15122e+03   -2.90719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59392e+03    1.04139e+05    2.80198e+05   -1.72180e+04   -2.15270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20894e+04   -1.73242e+06    3.49937e+05   -1.38249e+06   -1.33595e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14055e+02   -2.12700e+02    7.15832e+01    3.96928e-06

           Step           Time
        6195000    12390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61828e+03    1.82344e+04    1.24516e+04    1.12388e+03   -2.87026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44547e+03    1.04296e+05    2.75736e+05   -1.71847e+04   -2.14483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21039e+04   -1.72888e+06    3.48045e+05   -1.38083e+06   -1.33584e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12357e+02   -2.11879e+02   -1.52392e+02    4.00251e-06

           Step           Time
        6200000    12400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56956e+03    1.86451e+04    1.24762e+04    1.13388e+03   -2.97792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63380e+03    1.03634e+05    2.77801e+05   -1.71679e+04   -2.14580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23208e+04   -1.72773e+06    3.50262e+05   -1.37747e+06   -1.33587e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14346e+02   -2.11466e+02   -2.81798e+01    4.03259e-06

           Step           Time
        6205000    12410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54045e+03    1.81723e+04    1.25883e+04    1.10346e+03   -2.90079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53711e+03    1.03833e+05    2.78146e+05   -1.71947e+04   -2.14893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19798e+04   -1.73113e+06    3.48447e+05   -1.38268e+06   -1.33580e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12718e+02   -2.12126e+02   -1.78724e+01    3.98539e-06

           Step           Time
        6210000    12420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61926e+03    1.84115e+04    1.23675e+04    1.02393e+03   -2.92380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41502e+03    1.03773e+05    2.78944e+05   -1.72184e+04   -2.14987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20935e+04   -1.73137e+06    3.47947e+05   -1.38342e+06   -1.33575e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12269e+02   -2.12710e+02    6.95652e-01    3.92321e-06

           Step           Time
        6215000    12430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61213e+03    1.79046e+04    1.26620e+04    1.02430e+03   -2.97762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63868e+03    1.04049e+05    2.80200e+05   -1.71979e+04   -2.15075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20311e+04   -1.73080e+06    3.48609e+05   -1.38220e+06   -1.33572e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12863e+02   -2.12203e+02    9.84680e+01    4.03011e-06

           Step           Time
        6220000    12440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45181e+03    1.81102e+04    1.25325e+04    1.03779e+03   -2.80711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57212e+03    1.04124e+05    2.78062e+05   -1.71174e+04   -2.14749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19911e+04   -1.72953e+06    3.48288e+05   -1.38124e+06   -1.33572e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12575e+02   -2.10223e+02   -1.03874e+02    3.93302e-06

           Step           Time
        6225000    12450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52963e+03    1.81232e+04    1.25277e+04    1.11160e+03   -2.93867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47985e+03    1.04394e+05    2.78020e+05   -1.71280e+04   -2.15071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21288e+04   -1.73246e+06    3.48798e+05   -1.38366e+06   -1.33568e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13033e+02   -2.10484e+02   -1.12886e+02    4.10361e-06

           Step           Time
        6230000    12460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47652e+03    1.86451e+04    1.24394e+04    1.07629e+03   -2.88700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46426e+03    1.03668e+05    2.75941e+05   -1.71456e+04   -2.14415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20273e+04   -1.72845e+06    3.47443e+05   -1.38100e+06   -1.33564e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11817e+02   -2.10916e+02   -1.19073e+02    4.08829e-06

           Step           Time
        6235000    12470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76429e+03    1.82110e+04    1.25346e+04    1.12463e+03   -2.86248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61735e+03    1.04040e+05    2.80685e+05   -1.71850e+04   -2.14912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21733e+04   -1.72802e+06    3.48081e+05   -1.37994e+06   -1.33556e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12389e+02   -2.11885e+02    1.28634e+02    4.03545e-06

           Step           Time
        6240000    12480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29801e+03    1.81981e+04    1.25747e+04    1.17826e+03   -2.97194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61597e+03    1.03601e+05    2.77940e+05   -1.71715e+04   -2.14760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22466e+04   -1.73009e+06    3.49046e+05   -1.38104e+06   -1.33557e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13255e+02   -2.11553e+02    1.13835e+01    3.97136e-06

           Step           Time
        6245000    12490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37050e+03    1.80329e+04    1.24689e+04    1.13897e+03   -2.72040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43062e+03    1.04033e+05    2.78711e+05   -1.71645e+04   -2.14894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21444e+04   -1.73050e+06    3.47573e+05   -1.38293e+06   -1.33557e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11934e+02   -2.11381e+02   -4.98559e+01    4.09254e-06

           Step           Time
        6250000    12500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55269e+03    1.79544e+04    1.23777e+04    1.08057e+03   -2.80210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58474e+03    1.04385e+05    2.77349e+05   -1.71397e+04   -2.14776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20863e+04   -1.73033e+06    3.48084e+05   -1.38225e+06   -1.33556e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12392e+02   -2.10772e+02   -1.27206e+02    4.01599e-06

           Step           Time
        6255000    12510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33174e+03    1.83168e+04    1.24144e+04    1.04419e+03   -2.80012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54724e+03    1.03980e+05    2.78420e+05   -1.71701e+04   -2.14707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22006e+04   -1.72878e+06    3.47050e+05   -1.38173e+06   -1.33548e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11464e+02   -2.11519e+02    1.18627e+01    4.20755e-06

           Step           Time
        6260000    12520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34039e+03    1.84240e+04    1.23630e+04    1.11080e+03   -2.84125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58258e+03    1.04321e+05    2.77907e+05   -1.71372e+04   -2.14771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21737e+04   -1.72947e+06    3.47324e+05   -1.38214e+06   -1.33547e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11710e+02   -2.10710e+02   -5.86744e+01    3.98638e-06

           Step           Time
        6265000    12530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60809e+03    1.83850e+04    1.22531e+04    1.10625e+03   -2.69753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48321e+03    1.04092e+05    2.78057e+05   -1.72023e+04   -2.14703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21238e+04   -1.72882e+06    3.48300e+05   -1.38052e+06   -1.33543e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12586e+02   -2.12311e+02    5.48055e+01    3.92582e-06

           Step           Time
        6270000    12540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66058e+03    1.82711e+04    1.25481e+04    1.09310e+03   -2.86590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57602e+03    1.03685e+05    2.78292e+05   -1.71912e+04   -2.14709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20838e+04   -1.72894e+06    3.48412e+05   -1.38053e+06   -1.33538e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12686e+02   -2.12038e+02   -5.18960e+01    4.03645e-06

           Step           Time
        6275000    12550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61377e+03    1.90572e+04    1.24203e+04    1.07788e+03   -2.93468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51128e+03    1.03564e+05    2.79383e+05   -1.71885e+04   -2.14849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20330e+04   -1.72895e+06    3.49166e+05   -1.37979e+06   -1.33538e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13363e+02   -2.11971e+02    3.86885e+01    4.23618e-06

           Step           Time
        6280000    12560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56085e+03    1.84668e+04    1.23044e+04    1.13939e+03   -2.76160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50532e+03    1.04129e+05    2.78982e+05   -1.71041e+04   -2.14809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21751e+04   -1.72869e+06    3.49315e+05   -1.37938e+06   -1.33535e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13496e+02   -2.09898e+02   -4.06310e+01    4.07643e-06

           Step           Time
        6285000    12570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48419e+03    1.86945e+04    1.23598e+04    1.03137e+03   -2.82538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59391e+03    1.03408e+05    2.76363e+05   -1.71464e+04   -2.14386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21025e+04   -1.72780e+06    3.48550e+05   -1.37925e+06   -1.33533e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12810e+02   -2.10937e+02   -6.81990e+01    4.24777e-06

           Step           Time
        6290000    12580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56049e+03    1.81392e+04    1.23687e+04    1.00466e+03   -2.78388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57661e+03    1.04329e+05    2.82220e+05   -1.71940e+04   -2.15372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19441e+04   -1.73156e+06    3.48863e+05   -1.38270e+06   -1.33526e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13091e+02   -2.12108e+02    1.65961e+02    3.96094e-06

           Step           Time
        6295000    12590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52317e+03    1.81990e+04    1.26811e+04    1.12607e+03   -2.87926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54531e+03    1.04355e+05    2.78024e+05   -1.71581e+04   -2.14823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20975e+04   -1.72971e+06    3.49881e+05   -1.37983e+06   -1.33527e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14004e+02   -2.11224e+02   -1.39455e+01    4.10396e-06

           Step           Time
        6300000    12600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47045e+03    1.84862e+04    1.23384e+04    1.05680e+03   -2.87798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50249e+03    1.04073e+05    2.75593e+05   -1.71415e+04   -2.14374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21203e+04   -1.72812e+06    3.48114e+05   -1.38001e+06   -1.33524e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12419e+02   -2.10815e+02   -1.44159e+02    4.15985e-06

           Step           Time
        6305000    12610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62464e+03    1.80381e+04    1.26490e+04    1.11668e+03   -2.90430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48753e+03    1.03998e+05    2.80863e+05   -1.71409e+04   -2.14960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22152e+04   -1.72866e+06    3.47855e+05   -1.38080e+06   -1.33522e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12186e+02   -2.10801e+02    5.32190e+01    3.92835e-06

           Step           Time
        6310000    12620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73949e+03    1.83785e+04    1.25607e+04    1.05592e+03   -2.86319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41766e+03    1.03965e+05    2.80713e+05   -1.71648e+04   -2.15034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22094e+04   -1.72932e+06    3.49605e+05   -1.37972e+06   -1.33515e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13757e+02   -2.11389e+02    3.05953e+01    4.08770e-06

           Step           Time
        6315000    12630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64560e+03    1.85844e+04    1.26690e+04    1.10500e+03   -2.86113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63186e+03    1.03669e+05    2.79364e+05   -1.71188e+04   -2.14701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22054e+04   -1.72712e+06    3.50121e+05   -1.37700e+06   -1.33514e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14220e+02   -2.10259e+02    3.77646e+01    4.16827e-06

           Step           Time
        6320000    12640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51116e+03    1.82838e+04    1.23600e+04    1.11054e+03   -2.77729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57684e+03    1.03817e+05    2.77173e+05   -1.71689e+04   -2.14609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21817e+04   -1.72902e+06    3.49244e+05   -1.37978e+06   -1.33508e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13433e+02   -2.11490e+02    2.62599e-01    4.03382e-06

           Step           Time
        6325000    12650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55814e+03    1.85388e+04    1.23345e+04    1.09258e+03   -2.90215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47188e+03    1.03859e+05    2.80413e+05   -1.71351e+04   -2.14979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22076e+04   -1.72935e+06    3.50410e+05   -1.37894e+06   -1.33512e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14479e+02   -2.10658e+02    7.80661e+01    4.16334e-06

           Step           Time
        6330000    12660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55330e+03    1.80599e+04    1.23529e+04    1.03282e+03   -2.76112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55970e+03    1.03963e+05    2.79205e+05   -1.71357e+04   -2.15122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19483e+04   -1.73244e+06    3.48208e+05   -1.38423e+06   -1.33506e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12503e+02   -2.10674e+02   -7.51400e+01    3.90707e-06

           Step           Time
        6335000    12670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57670e+03    1.86720e+04    1.23673e+04    1.12297e+03   -2.83271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54381e+03    1.03648e+05    2.77937e+05   -1.71743e+04   -2.14819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22304e+04   -1.73009e+06    3.49484e+05   -1.38061e+06   -1.33502e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13649e+02   -2.11623e+02   -3.99095e+01    4.09229e-06

           Step           Time
        6340000    12680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38942e+03    1.83097e+04    1.26842e+04    1.05160e+03   -2.76632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55446e+03    1.04061e+05    2.78226e+05   -1.71600e+04   -2.14804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22663e+04   -1.72942e+06    3.49002e+05   -1.38042e+06   -1.33498e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13216e+02   -2.11270e+02   -2.28862e+01    3.97838e-06

           Step           Time
        6345000    12690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44050e+03    1.81693e+04    1.24518e+04    1.13301e+03   -2.74831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60148e+03    1.04064e+05    2.81548e+05   -1.71914e+04   -2.15172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19935e+04   -1.73026e+06    3.49325e+05   -1.38094e+06   -1.33497e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13505e+02   -2.12043e+02    1.16495e+02    3.94873e-06

           Step           Time
        6350000    12700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36521e+03    1.80115e+04    1.22326e+04    1.08657e+03   -2.82971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61286e+03    1.04537e+05    2.78887e+05   -1.71685e+04   -2.14909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21486e+04   -1.73021e+06    3.48107e+05   -1.38210e+06   -1.33491e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12413e+02   -2.11479e+02    3.51767e+01    4.15852e-06

           Step           Time
        6355000    12710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46712e+03    1.83573e+04    1.23724e+04    1.11639e+03   -2.89198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49968e+03    1.04427e+05    2.81059e+05   -1.71651e+04   -2.15088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22580e+04   -1.72938e+06    3.48358e+05   -1.38102e+06   -1.33495e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12638e+02   -2.11396e+02    4.82777e+01    3.98423e-06

           Step           Time
        6360000    12720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36970e+03    1.85523e+04    1.24191e+04    1.09017e+03   -2.87357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60141e+03    1.04018e+05    2.78376e+05   -1.71688e+04   -2.14854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19956e+04   -1.73016e+06    3.50417e+05   -1.37975e+06   -1.33492e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14486e+02   -2.11486e+02    1.46986e+01    4.12368e-06

           Step           Time
        6365000    12730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54658e+03    1.82158e+04    1.23703e+04    1.03423e+03   -2.84518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44472e+03    1.03849e+05    2.78614e+05   -1.71731e+04   -2.14847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20684e+04   -1.73034e+06    3.49944e+05   -1.38040e+06   -1.33489e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14061e+02   -2.11593e+02   -3.69817e+01    4.02226e-06

           Step           Time
        6370000    12740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45962e+03    1.82985e+04    1.24376e+04    1.09339e+03   -2.88568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36367e+03    1.03804e+05    2.80540e+05   -1.71762e+04   -2.15263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20224e+04   -1.73267e+06    3.48474e+05   -1.38420e+06   -1.33487e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12742e+02   -2.11669e+02   -1.94069e+01    4.06289e-06

           Step           Time
        6375000    12750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48434e+03    1.86028e+04    1.24782e+04    1.07328e+03   -2.83865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50730e+03    1.03873e+05    2.79010e+05   -1.71587e+04   -2.15046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22854e+04   -1.73114e+06    3.46864e+05   -1.38428e+06   -1.33477e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11297e+02   -2.11238e+02   -1.72126e+01    3.97332e-06

           Step           Time
        6380000    12760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36469e+03    1.85636e+04    1.23832e+04    1.10913e+03   -2.71836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48259e+03    1.03851e+05    2.78510e+05   -1.71581e+04   -2.14888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20644e+04   -1.73043e+06    3.47549e+05   -1.38288e+06   -1.33481e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11912e+02   -2.11223e+02   -4.66982e+01    4.15487e-06

           Step           Time
        6385000    12770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46901e+03    1.81723e+04    1.25093e+04    1.11566e+03   -2.80717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59709e+03    1.04205e+05    2.80771e+05   -1.71724e+04   -2.15111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21790e+04   -1.73008e+06    3.49072e+05   -1.38100e+06   -1.33478e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13279e+02   -2.11576e+02    4.34850e+01    4.13587e-06

           Step           Time
        6390000    12780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69086e+03    1.81382e+04    1.24656e+04    1.10524e+03   -2.79835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60428e+03    1.04177e+05    2.80999e+05   -1.71642e+04   -2.15184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20503e+04   -1.73057e+06    3.48650e+05   -1.38192e+06   -1.33476e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12900e+02   -2.11374e+02    7.66367e+01    4.05763e-06

           Step           Time
        6395000    12790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30719e+03    1.86036e+04    1.24504e+04    1.10435e+03   -2.94414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62278e+03    1.04467e+05    2.80225e+05   -1.71691e+04   -2.15125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20446e+04   -1.73054e+06    3.48492e+05   -1.38205e+06   -1.33471e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12758e+02   -2.11495e+02    9.66611e+01    4.09821e-06

           Step           Time
        6400000    12800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61155e+03    1.80850e+04    1.24839e+04    1.08212e+03   -2.80219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51728e+03    1.03941e+05    2.81025e+05   -1.71796e+04   -2.15275e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20669e+04   -1.73192e+06    3.47500e+05   -1.38442e+06   -1.33471e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11868e+02   -2.11753e+02    3.10623e+00    4.10109e-06

           Step           Time
        6405000    12810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38820e+03    1.84237e+04    1.24474e+04    1.04861e+03   -2.76786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50978e+03    1.04271e+05    2.76967e+05   -1.71484e+04   -2.14475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20766e+04   -1.72753e+06    3.48805e+05   -1.37873e+06   -1.33469e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13039e+02   -2.10985e+02   -4.18789e+01    3.99803e-06

           Step           Time
        6410000    12820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47183e+03    1.85388e+04    1.23820e+04    1.08211e+03   -2.80488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43709e+03    1.04430e+05    2.78713e+05   -1.71683e+04   -2.14955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21005e+04   -1.73037e+06    3.47210e+05   -1.38316e+06   -1.33463e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11608e+02   -2.11475e+02   -2.32608e+01    3.91289e-06

           Step           Time
        6415000    12830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44720e+03    1.83594e+04    1.25968e+04    1.14274e+03   -2.84297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66118e+03    1.04570e+05    2.80082e+05   -1.71234e+04   -2.14963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18968e+04   -1.72884e+06    3.49221e+05   -1.37962e+06   -1.33461e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13412e+02   -2.10370e+02    4.70559e+01    3.99339e-06

           Step           Time
        6420000    12840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41806e+03    1.81722e+04    1.27474e+04    1.13289e+03   -2.77225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45433e+03    1.04464e+05    2.80434e+05   -1.71703e+04   -2.15232e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21464e+04   -1.73129e+06    3.49146e+05   -1.38215e+06   -1.33458e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13345e+02   -2.11524e+02    3.11020e+01    3.91270e-06

           Step           Time
        6425000    12850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43859e+03    1.83455e+04    1.26715e+04    1.11558e+03   -2.88554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53724e+03    1.04407e+05    2.78968e+05   -1.71271e+04   -2.14871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21950e+04   -1.72904e+06    3.47445e+05   -1.38160e+06   -1.33454e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11818e+02   -2.10462e+02   -1.95910e+01    3.99902e-06

           Step           Time
        6430000    12860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65758e+03    1.84205e+04    1.25239e+04    1.04901e+03   -2.96927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47272e+03    1.04217e+05    2.79302e+05   -1.71625e+04   -2.14884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21962e+04   -1.72913e+06    3.50207e+05   -1.37892e+06   -1.33455e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14297e+02   -2.11331e+02   -5.68096e+00    4.08828e-06

           Step           Time
        6435000    12870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61932e+03    1.78890e+04    1.25047e+04    1.12794e+03   -2.80836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48113e+03    1.04667e+05    2.78394e+05   -1.71532e+04   -2.14928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21688e+04   -1.73039e+06    3.49198e+05   -1.38119e+06   -1.33454e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13391e+02   -2.11103e+02   -5.43000e+01    3.87493e-06

           Step           Time
        6440000    12880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73467e+03    1.87005e+04    1.25765e+04    1.09417e+03   -2.94703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.24436e+03    1.04236e+05    2.75486e+05   -1.71322e+04   -2.14597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22750e+04   -1.72971e+06    3.49519e+05   -1.38019e+06   -1.33449e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13680e+02   -2.10588e+02   -2.11032e+02    4.09311e-06

           Step           Time
        6445000    12890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52695e+03    1.84269e+04    1.24887e+04    9.84371e+02   -2.92170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47747e+03    1.04114e+05    2.77150e+05   -1.71642e+04   -2.14858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21551e+04   -1.73135e+06    3.48410e+05   -1.38294e+06   -1.33444e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12684e+02   -2.11374e+02   -1.34082e+02    3.99459e-06

           Step           Time
        6450000    12900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46481e+03    1.83743e+04    1.22651e+04    1.17574e+03   -2.84634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38203e+03    1.04454e+05    2.80870e+05   -1.71625e+04   -2.15049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21199e+04   -1.72939e+06    3.46588e+05   -1.38280e+06   -1.33438e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11049e+02   -2.11332e+02    8.11296e+01    3.99094e-06

           Step           Time
        6455000    12910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53419e+03    1.82195e+04    1.26089e+04    1.10377e+03   -2.89422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51834e+03    1.04447e+05    2.77364e+05   -1.71849e+04   -2.14704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21347e+04   -1.72919e+06    3.49483e+05   -1.37971e+06   -1.33441e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13647e+02   -2.11884e+02   -7.60177e+01    3.92672e-06

           Step           Time
        6460000    12920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77892e+03    1.84003e+04    1.25274e+04    1.06562e+03   -2.79963e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55948e+03    1.04063e+05    2.75981e+05   -1.70927e+04   -2.14364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24386e+04   -1.72672e+06    3.48930e+05   -1.37779e+06   -1.33434e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13151e+02   -2.09618e+02   -2.56679e+02    3.97360e-06

           Step           Time
        6465000    12930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35728e+03    1.82495e+04    1.25242e+04    1.12895e+03   -2.83193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41345e+03    1.04214e+05    2.79581e+05   -1.71865e+04   -2.15230e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21248e+04   -1.73273e+06    3.47558e+05   -1.38517e+06   -1.33434e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11919e+02   -2.11922e+02   -2.42557e+01    3.86668e-06

           Step           Time
        6470000    12940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38701e+03    1.83739e+04    1.25430e+04    1.16459e+03   -2.86549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42256e+03    1.04196e+05    2.77934e+05   -1.71768e+04   -2.14705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20324e+04   -1.72904e+06    3.47717e+05   -1.38132e+06   -1.33431e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12063e+02   -2.11685e+02    2.83425e+01    4.13330e-06

           Step           Time
        6475000    12950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41928e+03    1.82072e+04    1.24693e+04    1.03982e+03   -2.88426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50574e+03    1.04432e+05    2.80004e+05   -1.71786e+04   -2.15046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22681e+04   -1.73018e+06    3.49474e+05   -1.38070e+06   -1.33428e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13639e+02   -2.11727e+02    7.23944e+01    3.97325e-06

           Step           Time
        6480000    12960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63074e+03    1.80341e+04    1.24919e+04    1.07493e+03   -2.85006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55522e+03    1.04831e+05    2.81689e+05   -1.71937e+04   -2.15607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22490e+04   -1.73356e+06    3.49045e+05   -1.38451e+06   -1.33425e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13254e+02   -2.12100e+02    4.53150e+01    4.02878e-06

           Step           Time
        6485000    12970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51746e+03    1.84552e+04    1.23376e+04    1.07957e+03   -2.72426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48813e+03    1.04002e+05    2.78185e+05   -1.71737e+04   -2.14679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21620e+04   -1.72846e+06    3.47491e+05   -1.38097e+06   -1.33421e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11860e+02   -2.11608e+02   -1.50443e+01    3.90561e-06

           Step           Time
        6490000    12980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37922e+03    1.86482e+04    1.25440e+04    1.14597e+03   -2.81327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49886e+03    1.04276e+05    2.77991e+05   -1.71682e+04   -2.14457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21312e+04   -1.72594e+06    3.47468e+05   -1.37847e+06   -1.33417e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11839e+02   -2.11472e+02    2.86973e+01    3.92170e-06

           Step           Time
        6495000    12990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57705e+03    1.84809e+04    1.24289e+04    1.03063e+03   -2.85340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52952e+03    1.04295e+05    2.77750e+05   -1.71723e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22947e+04   -1.73084e+06    3.49539e+05   -1.38130e+06   -1.33417e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13698e+02   -2.11573e+02   -9.70766e+01    4.01260e-06

           Step           Time
        6500000    13000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82549e+03    1.83745e+04    1.24743e+04    1.00872e+03   -2.87020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42370e+03    1.04186e+05    2.78561e+05   -1.71667e+04   -2.14700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20379e+04   -1.72815e+06    3.48898e+05   -1.37925e+06   -1.33414e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13123e+02   -2.11434e+02   -1.06666e+01    4.11671e-06

           Step           Time
        6505000    13010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41507e+03    1.83328e+04    1.25048e+04    1.04097e+03   -2.82647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58609e+03    1.04455e+05    2.79045e+05   -1.71788e+04   -2.14844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20358e+04   -1.72902e+06    3.49822e+05   -1.37920e+06   -1.33410e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13951e+02   -2.11732e+02    2.72535e+01    4.00427e-06

           Step           Time
        6510000    13020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37684e+03    1.82419e+04    1.23032e+04    1.04808e+03   -2.69294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47351e+03    1.04177e+05    2.79209e+05   -1.71631e+04   -2.15199e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19041e+04   -1.73311e+06    3.49495e+05   -1.38362e+06   -1.33407e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13659e+02   -2.11347e+02   -6.97525e+01    4.14599e-06

           Step           Time
        6515000    13030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49448e+03    1.81625e+04    1.23958e+04    1.10669e+03   -2.84391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53566e+03    1.04346e+05    2.79288e+05   -1.71332e+04   -2.14881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21532e+04   -1.72931e+06    3.47149e+05   -1.38216e+06   -1.33400e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11553e+02   -2.10613e+02    7.29546e+00    3.99402e-06

           Step           Time
        6520000    13040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49791e+03    1.83043e+04    1.23074e+04    1.05615e+03   -2.80275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58837e+03    1.04384e+05    2.80460e+05   -1.71765e+04   -2.15007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21959e+04   -1.72925e+06    3.49540e+05   -1.37971e+06   -1.33394e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13699e+02   -2.11676e+02    1.12316e+02    3.95534e-06

           Step           Time
        6525000    13050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53258e+03    1.83910e+04    1.24352e+04    1.11314e+03   -2.90306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52427e+03    1.03920e+05    2.78893e+05   -1.71777e+04   -2.14857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22430e+04   -1.72960e+06    3.48642e+05   -1.38095e+06   -1.33393e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12893e+02   -2.11706e+02    6.96704e+01    3.88097e-06

           Step           Time
        6530000    13060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53038e+03    1.82467e+04    1.23994e+04    1.10483e+03   -2.74091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57905e+03    1.04646e+05    2.79667e+05   -1.71744e+04   -2.15012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22512e+04   -1.72961e+06    3.48062e+05   -1.38155e+06   -1.33393e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12372e+02   -2.11624e+02    4.49188e+01    4.09041e-06

           Step           Time
        6535000    13070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55003e+03    1.81493e+04    1.25385e+04    1.15048e+03   -2.80176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43756e+03    1.04655e+05    2.76183e+05   -1.71500e+04   -2.14810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22427e+04   -1.73115e+06    3.47685e+05   -1.38346e+06   -1.33387e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12034e+02   -2.11026e+02   -2.14645e+02    4.02200e-06

           Step           Time
        6540000    13080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69048e+03    1.82598e+04    1.24280e+04    1.09923e+03   -2.75652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49409e+03    1.04603e+05    2.82281e+05   -1.71766e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20137e+04   -1.72955e+06    3.49509e+05   -1.38004e+06   -1.33388e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13671e+02   -2.11679e+02    8.65290e+01    3.91229e-06

           Step           Time
        6545000    13090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70632e+03    1.83049e+04    1.26371e+04    1.09879e+03   -2.78739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45247e+03    1.04221e+05    2.78094e+05   -1.71633e+04   -2.14727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17973e+04   -1.72891e+06    3.50387e+05   -1.37852e+06   -1.33384e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14459e+02   -2.11352e+02   -8.35708e+01    4.15054e-06

           Step           Time
        6550000    13100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36316e+03    1.79015e+04    1.25345e+04    1.06878e+03   -2.78656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64239e+03    1.04330e+05    2.80582e+05   -1.71662e+04   -2.15047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20306e+04   -1.72997e+06    3.47141e+05   -1.38283e+06   -1.33381e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11546e+02   -2.11423e+02    4.22134e+01    3.99617e-06

           Step           Time
        6555000    13110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45413e+03    1.84352e+04    1.23811e+04    1.17475e+03   -2.76322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59190e+03    1.04213e+05    2.76734e+05   -1.71382e+04   -2.14586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22830e+04   -1.72849e+06    3.50497e+05   -1.37800e+06   -1.33382e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14557e+02   -2.10736e+02   -2.86520e+01    3.97195e-06

           Step           Time
        6560000    13120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55218e+03    1.86209e+04    1.22887e+04    1.03952e+03   -2.90859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52076e+03    1.03513e+05    2.80238e+05   -1.71805e+04   -2.15205e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22722e+04   -1.73210e+06    3.50322e+05   -1.38178e+06   -1.33374e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14400e+02   -2.11774e+02    9.24238e+01    4.09497e-06

           Step           Time
        6565000    13130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57510e+03    1.82490e+04    1.21786e+04    1.08808e+03   -2.74824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45327e+03    1.03990e+05    2.79345e+05   -1.71451e+04   -2.14818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22918e+04   -1.72891e+06    3.49022e+05   -1.37989e+06   -1.33369e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13234e+02   -2.10903e+02   -1.74738e+00    4.03469e-06

           Step           Time
        6570000    13140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74213e+03    1.85976e+04    1.24864e+04    1.07731e+03   -2.86620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42997e+03    1.03792e+05    2.78132e+05   -1.71663e+04   -2.14810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22221e+04   -1.72965e+06    3.47531e+05   -1.38212e+06   -1.33363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11896e+02   -2.11425e+02    6.49642e+00    3.91076e-06

           Step           Time
        6575000    13150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23284e+03    1.82029e+04    1.23676e+04    1.04478e+03   -2.73466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41819e+03    1.04093e+05    2.77907e+05   -1.71650e+04   -2.14957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19722e+04   -1.73223e+06    3.50041e+05   -1.38219e+06   -1.33366e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14148e+02   -2.11394e+02   -9.48444e+01    4.13113e-06

           Step           Time
        6580000    13160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35685e+03    1.83508e+04    1.23843e+04    9.94277e+02   -2.77440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48378e+03    1.03759e+05    2.79639e+05   -1.71920e+04   -2.14954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18801e+04   -1.73065e+06    3.49376e+05   -1.38128e+06   -1.33363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13551e+02   -2.12058e+02    6.44047e+01    4.05158e-06

           Step           Time
        6585000    13170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30184e+03    1.87271e+04    1.25627e+04    1.00045e+03   -2.90441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49779e+03    1.04160e+05    2.78414e+05   -1.71699e+04   -2.14861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20383e+04   -1.72999e+06    3.48345e+05   -1.38164e+06   -1.33354e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12626e+02   -2.11514e+02   -2.53790e+01    3.94343e-06

           Step           Time
        6590000    13180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33784e+03    1.81145e+04    1.25118e+04    1.06665e+03   -2.82467e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57612e+03    1.04205e+05    2.83008e+05   -1.71977e+04   -2.15723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20732e+04   -1.73436e+06    3.50579e+05   -1.38378e+06   -1.33355e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14631e+02   -2.12199e+02    1.21617e+02    3.94635e-06

           Step           Time
        6595000    13190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43400e+03    1.80484e+04    1.24949e+04    1.15819e+03   -2.75471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58902e+03    1.04331e+05    2.80061e+05   -1.71925e+04   -2.14993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21261e+04   -1.72963e+06    3.47883e+05   -1.38175e+06   -1.33353e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12212e+02   -2.12069e+02    1.08469e+02    4.00208e-06

           Step           Time
        6600000    13200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75212e+03    1.83110e+04    1.24620e+04    1.12198e+03   -2.83337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52446e+03    1.03745e+05    2.80169e+05   -1.71750e+04   -2.14827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20873e+04   -1.72811e+06    3.48962e+05   -1.37914e+06   -1.33342e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13180e+02   -2.11639e+02    3.48219e+01    4.11904e-06

           Step           Time
        6605000    13210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65656e+03    1.82124e+04    1.23022e+04    1.01307e+03   -2.85189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52310e+03    1.04191e+05    2.79017e+05   -1.71698e+04   -2.15074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20896e+04   -1.73175e+06    3.50177e+05   -1.38158e+06   -1.33342e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14270e+02   -2.11512e+02    1.91317e+01    4.07459e-06

           Step           Time
        6610000    13220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52785e+03    1.82800e+04    1.23856e+04    1.12232e+03   -2.85056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56621e+03    1.04611e+05    2.78374e+05   -1.71816e+04   -2.14796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18981e+04   -1.72922e+06    3.49553e+05   -1.37967e+06   -1.33340e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13710e+02   -2.11801e+02    1.13337e+01    3.88892e-06

           Step           Time
        6615000    13230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92246e+03    1.82001e+04    1.24841e+04    1.11361e+03   -2.95350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49076e+03    1.04226e+05    2.78688e+05   -1.71725e+04   -2.14737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21614e+04   -1.72821e+06    3.49849e+05   -1.37836e+06   -1.33336e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13975e+02   -2.11577e+02   -5.25291e+01    4.06401e-06

           Step           Time
        6620000    13240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48130e+03    1.84317e+04    1.26781e+04    1.12546e+03   -2.86982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63995e+03    1.03526e+05    2.78426e+05   -1.71451e+04   -2.14847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23416e+04   -1.72983e+06    3.49337e+05   -1.38049e+06   -1.33327e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13516e+02   -2.10903e+02    1.09244e+01    4.11953e-06

           Step           Time
        6625000    13250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48135e+03    1.82279e+04    1.26064e+04    1.06517e+03   -2.88616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62785e+03    1.04297e+05    2.81047e+05   -1.71570e+04   -2.15073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20769e+04   -1.72934e+06    3.47544e+05   -1.38180e+06   -1.33323e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11907e+02   -2.11198e+02    4.79537e+01    3.88028e-06

           Step           Time
        6630000    13260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45562e+03    1.82526e+04    1.25424e+04    1.01991e+03   -2.91538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58537e+03    1.04034e+05    2.75708e+05   -1.71179e+04   -2.14672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21403e+04   -1.73101e+06    3.47885e+05   -1.38313e+06   -1.33323e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12213e+02   -2.10237e+02   -1.48592e+02    3.90680e-06

           Step           Time
        6635000    13270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68387e+03    1.82824e+04    1.24647e+04    1.06178e+03   -2.84565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55527e+03    1.04006e+05    2.78281e+05   -1.71286e+04   -2.14888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21272e+04   -1.73039e+06    3.48998e+05   -1.38139e+06   -1.33321e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13212e+02   -2.10499e+02   -8.57623e+01    3.94470e-06

           Step           Time
        6640000    13280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51565e+03    1.80704e+04    1.26040e+04    1.05121e+03   -2.85663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56614e+03    1.04073e+05    2.77219e+05   -1.71700e+04   -2.14933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19121e+04   -1.73235e+06    3.48750e+05   -1.38360e+06   -1.33316e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12990e+02   -2.11518e+02   -4.50825e+01    4.04928e-06

           Step           Time
        6645000    13290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42176e+03    1.82680e+04    1.24553e+04    9.87160e+02   -2.77270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61981e+03    1.04523e+05    2.79614e+05   -1.71594e+04   -2.14823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20889e+04   -1.72818e+06    3.48579e+05   -1.37960e+06   -1.33313e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12836e+02   -2.11255e+02    7.88035e+01    4.01128e-06

           Step           Time
        6650000    13300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64861e+03    1.85163e+04    1.24200e+04    1.15393e+03   -2.83011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54817e+03    1.03682e+05    2.77243e+05   -1.71506e+04   -2.14509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20826e+04   -1.72778e+06    3.49363e+05   -1.37841e+06   -1.33312e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13540e+02   -2.11040e+02   -5.01180e+01    3.95533e-06

Writing checkpoint, step 6650400 at Thu Dec  7 07:12:56 2023


           Step           Time
        6655000    13310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42848e+03    1.82237e+04    1.26620e+04    1.13975e+03   -2.84430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50536e+03    1.04311e+05    2.78408e+05   -1.71595e+04   -2.14708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21603e+04   -1.72825e+06    3.50323e+05   -1.37793e+06   -1.33310e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14401e+02   -2.11258e+02    3.96910e+01    4.09714e-06

           Step           Time
        6660000    13320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54732e+03    1.87413e+04    1.24603e+04    1.05849e+03   -2.95887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53279e+03    1.03718e+05    2.78580e+05   -1.71723e+04   -2.14671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20894e+04   -1.72812e+06    3.48342e+05   -1.37978e+06   -1.33306e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12623e+02   -2.11573e+02   -4.72348e+00    4.02018e-06

           Step           Time
        6665000    13330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52055e+03    1.82377e+04    1.24243e+04    1.05265e+03   -2.72379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45460e+03    1.04592e+05    2.79658e+05   -1.71466e+04   -2.14981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21522e+04   -1.72959e+06    3.49861e+05   -1.37973e+06   -1.33308e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13986e+02   -2.10942e+02   -1.09417e+01    4.05549e-06

           Step           Time
        6670000    13340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70158e+03    1.81796e+04    1.23898e+04    1.07351e+03   -2.82736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52421e+03    1.04055e+05    2.79625e+05   -1.71328e+04   -2.14831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20618e+04   -1.72866e+06    3.49122e+05   -1.37954e+06   -1.33300e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13323e+02   -2.10601e+02    5.35219e+00    4.05115e-06

           Step           Time
        6675000    13350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61303e+03    1.84715e+04    1.24141e+04    1.07490e+03   -2.78174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39599e+03    1.04021e+05    2.82096e+05   -1.71573e+04   -2.15188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20983e+04   -1.72963e+06    3.50469e+05   -1.37916e+06   -1.33300e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14532e+02   -2.11204e+02    1.00625e+02    4.05991e-06

           Step           Time
        6680000    13360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57033e+03    1.82846e+04    1.25541e+04    1.12320e+03   -2.93752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58162e+03    1.03781e+05    2.79097e+05   -1.71299e+04   -2.14702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22094e+04   -1.72789e+06    3.47195e+05   -1.38070e+06   -1.33295e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11594e+02   -2.10532e+02   -6.76596e+00    4.00386e-06

           Step           Time
        6685000    13370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52858e+03    1.84271e+04    1.25292e+04    1.08128e+03   -2.85920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47746e+03    1.04015e+05    2.78280e+05   -1.71934e+04   -2.14832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21385e+04   -1.72989e+06    3.48232e+05   -1.38166e+06   -1.33293e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12525e+02   -2.12092e+02   -4.43828e+01    4.06621e-06

           Step           Time
        6690000    13380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67566e+03    1.83845e+04    1.24056e+04    1.09960e+03   -2.73080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51757e+03    1.03896e+05    2.78697e+05   -1.71979e+04   -2.14796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19888e+04   -1.72922e+06    3.48604e+05   -1.38062e+06   -1.33287e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12859e+02   -2.12204e+02    5.26400e+01    3.81547e-06

           Step           Time
        6695000    13390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45466e+03    1.82057e+04    1.25332e+04    1.03319e+03   -2.77491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48327e+03    1.04064e+05    2.77492e+05   -1.71171e+04   -2.14846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21229e+04   -1.73096e+06    3.48576e+05   -1.38239e+06   -1.33287e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12834e+02   -2.10217e+02   -1.16750e+02    4.08023e-06

           Step           Time
        6700000    13400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64175e+03    1.84816e+04    1.24869e+04    1.02469e+03   -2.90191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47100e+03    1.04463e+05    2.79511e+05   -1.72010e+04   -2.15087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22375e+04   -1.73066e+06    3.50457e+05   -1.38020e+06   -1.33285e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14521e+02   -2.12280e+02    4.83338e+00    4.03667e-06

           Step           Time
        6705000    13410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36305e+03    1.81303e+04    1.25284e+04    1.04788e+03   -2.90169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71127e+03    1.04423e+05    2.79046e+05   -1.71536e+04   -2.15087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20951e+04   -1.73158e+06    3.51155e+05   -1.38043e+06   -1.33281e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15148e+02   -2.11113e+02   -3.94214e+01    4.21519e-06

           Step           Time
        6710000    13420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60125e+03    1.85260e+04    1.23579e+04    1.03212e+03   -2.90063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39703e+03    1.04332e+05    2.77601e+05   -1.71744e+04   -2.14813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21173e+04   -1.73024e+06    3.49352e+05   -1.38088e+06   -1.33276e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13529e+02   -2.11625e+02   -4.32228e+01    4.26423e-06

           Step           Time
        6715000    13430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45719e+03    1.80776e+04    1.24672e+04    1.13283e+03   -2.86535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54017e+03    1.04790e+05    2.77507e+05   -1.71844e+04   -2.14756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20686e+04   -1.72957e+06    3.46507e+05   -1.38306e+06   -1.33267e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10977e+02   -2.11870e+02   -3.23184e-01    3.90975e-06

           Step           Time
        6720000    13440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38758e+03    1.84416e+04    1.24365e+04    1.15486e+03   -2.83289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46022e+03    1.04384e+05    2.78736e+05   -1.71263e+04   -2.15069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21461e+04   -1.73150e+06    3.48596e+05   -1.38290e+06   -1.33267e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12852e+02   -2.10441e+02   -5.61762e+01    4.17093e-06

           Step           Time
        6725000    13450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71098e+03    1.82677e+04    1.24481e+04    1.06763e+03   -2.88891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56064e+03    1.04284e+05    2.77526e+05   -1.71265e+04   -2.14668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21452e+04   -1.72868e+06    3.49014e+05   -1.37967e+06   -1.33265e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13226e+02   -2.10448e+02   -4.45485e+01    4.15368e-06

           Step           Time
        6730000    13460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56125e+03    1.81566e+04    1.25680e+04    1.14353e+03   -2.87442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44508e+03    1.04295e+05    2.79017e+05   -1.71675e+04   -2.14952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22451e+04   -1.73013e+06    3.47526e+05   -1.38261e+06   -1.33261e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11891e+02   -2.11454e+02    1.26319e+01    3.90598e-06

           Step           Time
        6735000    13470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48153e+03    1.86311e+04    1.23350e+04    1.10524e+03   -2.85869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48891e+03    1.04108e+05    2.80498e+05   -1.71608e+04   -2.15039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20992e+04   -1.72966e+06    3.48398e+05   -1.38126e+06   -1.33258e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12674e+02   -2.11291e+02    8.14288e+01    4.02568e-06

           Step           Time
        6740000    13480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56683e+03    1.80054e+04    1.25355e+04    1.05559e+03   -2.90738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58126e+03    1.04171e+05    2.78856e+05   -1.71571e+04   -2.14850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20256e+04   -1.72976e+06    3.46736e+05   -1.38303e+06   -1.33255e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11182e+02   -2.11199e+02    2.47904e+00    3.95587e-06

           Step           Time
        6745000    13490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68885e+03    1.83890e+04    1.24984e+04    1.08553e+03   -2.87870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50426e+03    1.04540e+05    2.79010e+05   -1.71659e+04   -2.14948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21735e+04   -1.72964e+06    3.49792e+05   -1.37985e+06   -1.33252e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13925e+02   -2.11416e+02   -5.20640e+00    3.96146e-06

           Step           Time
        6750000    13500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85442e+03    1.85672e+04    1.26586e+04    1.10781e+03   -2.92376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48096e+03    1.04401e+05    2.78756e+05   -1.71833e+04   -2.14705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22014e+04   -1.72713e+06    3.47926e+05   -1.37920e+06   -1.33251e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12250e+02   -2.11843e+02    7.43967e+00    4.07496e-06

           Step           Time
        6755000    13510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42046e+03    1.78483e+04    1.26725e+04    1.12787e+03   -2.86655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61209e+03    1.04721e+05    2.75810e+05   -1.71544e+04   -2.14670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20819e+04   -1.73043e+06    3.48435e+05   -1.38200e+06   -1.33251e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12707e+02   -2.11133e+02   -1.51633e+02    4.01223e-06

           Step           Time
        6760000    13520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53364e+03    1.81096e+04    1.24190e+04    1.10619e+03   -2.83624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59751e+03    1.04479e+05    2.77267e+05   -1.71481e+04   -2.14626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20524e+04   -1.72868e+06    3.48925e+05   -1.37975e+06   -1.33246e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13147e+02   -2.10978e+02   -1.81151e+01    4.13170e-06

           Step           Time
        6765000    13530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68596e+03    1.85998e+04    1.25420e+04    1.12330e+03   -2.88660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49113e+03    1.03825e+05    2.78983e+05   -1.71616e+04   -2.14721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22299e+04   -1.72777e+06    3.48234e+05   -1.37954e+06   -1.33238e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12527e+02   -2.11311e+02   -2.15598e+00    3.96885e-06

           Step           Time
        6770000    13540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49506e+03    1.81231e+04    1.26517e+04    1.12617e+03   -2.94400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54313e+03    1.04403e+05    2.78340e+05   -1.72012e+04   -2.14994e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21808e+04   -1.73122e+06    3.46208e+05   -1.38501e+06   -1.33233e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10709e+02   -2.12285e+02   -5.39243e+01    3.89038e-06

           Step           Time
        6775000    13550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29365e+03    1.84118e+04    1.24340e+04    1.11792e+03   -2.81886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57028e+03    1.04495e+05    2.78626e+05   -1.71331e+04   -2.14842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22785e+04   -1.72914e+06    3.49016e+05   -1.38013e+06   -1.33234e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13228e+02   -2.10609e+02   -3.82009e+00    4.15839e-06

           Step           Time
        6780000    13560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68922e+03    1.82265e+04    1.25326e+04    1.08144e+03   -2.90501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40998e+03    1.03740e+05    2.78986e+05   -1.71483e+04   -2.14813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21053e+04   -1.72942e+06    3.49662e+05   -1.37976e+06   -1.33234e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13808e+02   -2.10982e+02   -5.30673e+01    4.05856e-06

           Step           Time
        6785000    13570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45167e+03    1.83019e+04    1.25807e+04    1.18277e+03   -2.88103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64586e+03    1.04261e+05    2.79238e+05   -1.71822e+04   -2.15034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21810e+04   -1.73056e+06    3.48022e+05   -1.38254e+06   -1.33228e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12336e+02   -2.11818e+02    4.91768e+01    4.13321e-06

           Step           Time
        6790000    13580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78258e+03    1.85914e+04    1.24255e+04    1.17328e+03   -2.97554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47129e+03    1.03735e+05    2.79512e+05   -1.71536e+04   -2.14832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21993e+04   -1.72856e+06    3.49790e+05   -1.37877e+06   -1.33227e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13923e+02   -2.11114e+02   -7.17621e-01    4.02181e-06

           Step           Time
        6795000    13590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53467e+03    1.83617e+04    1.24042e+04    1.03616e+03   -2.83016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52278e+03    1.03539e+05    2.79693e+05   -1.71156e+04   -2.14885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21651e+04   -1.72954e+06    3.46657e+05   -1.38289e+06   -1.33222e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11111e+02   -2.10179e+02   -3.94780e+01    3.88463e-06

           Step           Time
        6800000    13600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54840e+03    1.80721e+04    1.25438e+04    1.08562e+03   -2.89957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40807e+03    1.03876e+05    2.79145e+05   -1.71453e+04   -2.14931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23644e+04   -1.73031e+06    3.48597e+05   -1.38171e+06   -1.33223e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12852e+02   -2.10910e+02   -2.86607e+01    3.92066e-06

           Step           Time
        6805000    13610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56504e+03    1.82770e+04    1.25727e+04    1.09451e+03   -2.81445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52370e+03    1.04362e+05    2.78587e+05   -1.71585e+04   -2.14934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22519e+04   -1.73008e+06    3.48656e+05   -1.38142e+06   -1.33217e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12906e+02   -2.11232e+02   -3.37377e+01    4.07175e-06

           Step           Time
        6810000    13620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65704e+03    1.81525e+04    1.25753e+04    1.08168e+03   -2.81395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38194e+03    1.04252e+05    2.77955e+05   -1.71914e+04   -2.14824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22573e+04   -1.72994e+06    3.48815e+05   -1.38112e+06   -1.33214e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13048e+02   -2.12042e+02   -1.20994e+02    4.16219e-06

           Step           Time
        6815000    13630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72172e+03    1.85222e+04    1.26044e+04    1.12342e+03   -2.90980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60515e+03    1.04025e+05    2.79230e+05   -1.71435e+04   -2.14605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20828e+04   -1.72619e+06    3.48681e+05   -1.37751e+06   -1.33206e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12927e+02   -2.10864e+02   -2.19126e+00    4.07752e-06

           Step           Time
        6820000    13640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38621e+03    1.88183e+04    1.24384e+04    1.13190e+03   -2.81975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51669e+03    1.03959e+05    2.78427e+05   -1.71950e+04   -2.14865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20595e+04   -1.72993e+06    3.46848e+05   -1.38308e+06   -1.33202e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11282e+02   -2.12133e+02    1.09664e+01    4.01457e-06

           Step           Time
        6825000    13650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69336e+03    1.82163e+04    1.24478e+04    1.17280e+03   -2.82073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43970e+03    1.04180e+05    2.79938e+05   -1.71874e+04   -2.15180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19469e+04   -1.73178e+06    3.48884e+05   -1.38290e+06   -1.33204e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13110e+02   -2.11944e+02    7.30688e+01    3.94228e-06

           Step           Time
        6830000    13660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67330e+03    1.79158e+04    1.24122e+04    1.01456e+03   -2.80592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45754e+03    1.03908e+05    2.79144e+05   -1.71588e+04   -2.14822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22297e+04   -1.72943e+06    3.48778e+05   -1.38065e+06   -1.33208e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13014e+02   -2.11241e+02   -5.84728e+01    4.10571e-06

           Step           Time
        6835000    13670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72134e+03    1.82443e+04    1.23286e+04    1.04882e+03   -2.80626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34500e+03    1.04134e+05    2.79269e+05   -1.71551e+04   -2.14986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19320e+04   -1.73080e+06    3.48279e+05   -1.38252e+06   -1.33204e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12567e+02   -2.11150e+02   -1.39454e+02    4.01442e-06

           Step           Time
        6840000    13680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67569e+03    1.82176e+04    1.24117e+04    1.04454e+03   -2.77315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37430e+03    1.04512e+05    2.78439e+05   -1.71488e+04   -2.14828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21930e+04   -1.72933e+06    3.48596e+05   -1.38074e+06   -1.33199e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12852e+02   -2.10994e+02   -1.04742e+02    4.05818e-06

           Step           Time
        6845000    13690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71600e+03    1.83898e+04    1.25967e+04    1.13427e+03   -2.85057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40654e+03    1.04101e+05    2.79286e+05   -1.71634e+04   -2.14923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21705e+04   -1.72945e+06    3.49127e+05   -1.38032e+06   -1.33197e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13328e+02   -2.11354e+02   -2.99143e+01    3.92531e-06

           Step           Time
        6850000    13700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74798e+03    1.79675e+04    1.24810e+04    1.07435e+03   -2.88988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65980e+03    1.03974e+05    2.78392e+05   -1.71646e+04   -2.14864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20599e+04   -1.73034e+06    3.49204e+05   -1.38114e+06   -1.33195e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13397e+02   -2.11382e+02   -5.99628e+01    3.94803e-06

           Step           Time
        6855000    13710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41605e+03    1.85572e+04    1.24364e+04    1.08898e+03   -2.90338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53173e+03    1.04214e+05    2.77233e+05   -1.71382e+04   -2.14625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22121e+04   -1.72860e+06    3.51464e+05   -1.37714e+06   -1.33193e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15425e+02   -2.10735e+02   -4.99399e+01    4.15662e-06

           Step           Time
        6860000    13720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52862e+03    1.83770e+04    1.26265e+04    1.15397e+03   -2.97051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38958e+03    1.03681e+05    2.76891e+05   -1.71748e+04   -2.14894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21158e+04   -1.73232e+06    3.49010e+05   -1.38331e+06   -1.33186e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13223e+02   -2.11634e+02   -1.79043e+02    3.92308e-06

           Step           Time
        6865000    13730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67497e+03    1.86990e+04    1.26407e+04    1.08953e+03   -2.86273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47604e+03    1.03494e+05    2.79364e+05   -1.72193e+04   -2.14885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19663e+04   -1.72953e+06    3.49732e+05   -1.37980e+06   -1.33184e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13871e+02   -2.12732e+02   -7.06093e+00    4.10070e-06

           Step           Time
        6870000    13740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34577e+03    1.83647e+04    1.25443e+04    1.06781e+03   -2.94070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51008e+03    1.04013e+05    2.79524e+05   -1.71628e+04   -2.14886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19754e+04   -1.72962e+06    3.46928e+05   -1.38269e+06   -1.33182e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11355e+02   -2.11340e+02    7.20645e+00    4.09323e-06

           Step           Time
        6875000    13750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53930e+03    1.80358e+04    1.24420e+04    1.08259e+03   -2.90238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48288e+03    1.04316e+05    2.78390e+05   -1.71292e+04   -2.14812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21962e+04   -1.72967e+06    3.47141e+05   -1.38252e+06   -1.33178e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11546e+02   -2.10513e+02   -6.83615e+01    3.98970e-06

           Step           Time
        6880000    13760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70445e+03    1.84511e+04    1.25918e+04    1.08878e+03   -2.83614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31766e+03    1.04031e+05    2.79319e+05   -1.71511e+04   -2.14934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22031e+04   -1.72962e+06    3.50626e+05   -1.37899e+06   -1.33176e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14673e+02   -2.11052e+02   -8.83818e+01    4.11439e-06

           Step           Time
        6885000    13770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33829e+03    1.83618e+04    1.24743e+04    1.05955e+03   -3.01874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58760e+03    1.04080e+05    2.79226e+05   -1.71768e+04   -2.15068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19402e+04   -1.73181e+06    3.47275e+05   -1.38454e+06   -1.33171e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11666e+02   -2.11685e+02    3.53446e+01    3.97570e-06

           Step           Time
        6890000    13780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62886e+03    1.84468e+04    1.25417e+04    1.05534e+03   -2.83086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52291e+03    1.03723e+05    2.77457e+05   -1.71760e+04   -2.14727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19417e+04   -1.72996e+06    3.50057e+05   -1.37990e+06   -1.33167e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14162e+02   -2.11665e+02   -6.64832e+01    3.94229e-06

           Step           Time
        6895000    13790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41671e+03    1.82983e+04    1.22682e+04    1.04501e+03   -2.86411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49675e+03    1.04140e+05    2.79265e+05   -1.71751e+04   -2.15114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20489e+04   -1.73220e+06    3.48776e+05   -1.38342e+06   -1.33166e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13012e+02   -2.11642e+02   -3.79688e+01    3.97776e-06

           Step           Time
        6900000    13800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51484e+03    1.81498e+04    1.25572e+04    1.19209e+03   -2.91441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60665e+03    1.04120e+05    2.78936e+05   -1.71386e+04   -2.14575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19874e+04   -1.72674e+06    3.49149e+05   -1.37759e+06   -1.33158e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13348e+02   -2.10745e+02    2.55123e+01    4.02396e-06

           Step           Time
        6905000    13810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49112e+03    1.81851e+04    1.26515e+04    1.17895e+03   -2.83870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50075e+03    1.04401e+05    2.79666e+05   -1.71521e+04   -2.14891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18996e+04   -1.72893e+06    3.48883e+05   -1.38004e+06   -1.33158e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13109e+02   -2.11077e+02    9.64931e+00    4.04771e-06

           Step           Time
        6910000    13820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63446e+03    1.79572e+04    1.24227e+04    1.08962e+03   -2.81309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55584e+03    1.04430e+05    2.79008e+05   -1.71719e+04   -2.14866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21000e+04   -1.72945e+06    3.47896e+05   -1.38155e+06   -1.33151e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12223e+02   -2.11562e+02    8.36052e+00    4.02386e-06

           Step           Time
        6915000    13830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71204e+03    1.83738e+04    1.25042e+04    1.17867e+03   -2.94300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50857e+03    1.04330e+05    2.80382e+05   -1.71486e+04   -2.15029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21358e+04   -1.72926e+06    3.48456e+05   -1.38080e+06   -1.33144e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12725e+02   -2.10990e+02    2.17031e+01    4.18513e-06

           Step           Time
        6920000    13840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57672e+03    1.86455e+04    1.23630e+04    1.10069e+03   -2.86138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55956e+03    1.04757e+05    2.79559e+05   -1.71599e+04   -2.14982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22473e+04   -1.72903e+06    3.48346e+05   -1.38068e+06   -1.33141e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12627e+02   -2.11269e+02   -7.89039e+00    3.83698e-06

           Step           Time
        6925000    13850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44056e+03    1.83314e+04    1.27626e+04    1.13140e+03   -2.85573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40957e+03    1.04480e+05    2.81449e+05   -1.71488e+04   -2.15120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22297e+04   -1.72897e+06    3.49540e+05   -1.37943e+06   -1.33139e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13699e+02   -2.10995e+02    8.73869e+01    4.14080e-06

           Step           Time
        6930000    13860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56095e+03    1.86058e+04    1.25676e+04    1.09883e+03   -2.92049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59219e+03    1.03676e+05    2.78481e+05   -1.71039e+04   -2.14671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21207e+04   -1.72803e+06    3.50418e+05   -1.37761e+06   -1.33138e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14487e+02   -2.09894e+02   -8.32131e+01    4.18836e-06

           Step           Time
        6935000    13870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84930e+03    1.79561e+04    1.26390e+04    1.10828e+03   -2.90365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49701e+03    1.04316e+05    2.79812e+05   -1.71507e+04   -2.15012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21972e+04   -1.72980e+06    3.48535e+05   -1.38126e+06   -1.33134e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12796e+02   -2.11041e+02    1.63160e+01    4.10332e-06

           Step           Time
        6940000    13880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85932e+03    1.81409e+04    1.25073e+04    1.14355e+03   -2.88544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55356e+03    1.03916e+05    2.77740e+05   -1.71891e+04   -2.14779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19438e+04   -1.73006e+06    3.49505e+05   -1.38056e+06   -1.33127e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13667e+02   -2.11988e+02   -8.44111e+01    4.02893e-06

           Step           Time
        6945000    13890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50700e+03    1.80595e+04    1.25270e+04    1.10966e+03   -2.81752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63859e+03    1.04226e+05    2.79332e+05   -1.71493e+04   -2.14981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20536e+04   -1.73032e+06    3.48714e+05   -1.38161e+06   -1.33128e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12958e+02   -2.11007e+02    1.77536e+01    4.13285e-06

           Step           Time
        6950000    13900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51677e+03    1.83229e+04    1.26650e+04    1.09802e+03   -2.88765e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57172e+03    1.04296e+05    2.77720e+05   -1.71710e+04   -2.14740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21315e+04   -1.72914e+06    3.48272e+05   -1.38087e+06   -1.33125e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12560e+02   -2.11541e+02   -5.83216e+01    4.07962e-06

           Step           Time
        6955000    13910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28629e+03    1.83999e+04    1.23870e+04    1.05937e+03   -2.84510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61133e+03    1.04067e+05    2.80554e+05   -1.71684e+04   -2.14952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20833e+04   -1.72908e+06    3.47546e+05   -1.38154e+06   -1.33121e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11909e+02   -2.11476e+02    1.09418e+02    3.98793e-06

           Step           Time
        6960000    13920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50110e+03    1.83584e+04    1.25372e+04    1.03379e+03   -2.85516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41965e+03    1.03802e+05    2.77987e+05   -1.71171e+04   -2.14764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18653e+04   -1.73011e+06    3.48515e+05   -1.38160e+06   -1.33116e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12778e+02   -2.10216e+02   -1.25744e+02    3.89175e-06

           Step           Time
        6965000    13930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87608e+03    1.83374e+04    1.26729e+04    1.09493e+03   -2.84479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52019e+03    1.04056e+05    2.78018e+05   -1.71849e+04   -2.14891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21611e+04   -1.73020e+06    3.50590e+05   -1.37961e+06   -1.33111e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14641e+02   -2.11883e+02   -3.52496e+01    3.91541e-06

           Step           Time
        6970000    13940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54202e+03    1.78921e+04    1.25502e+04    1.03547e+03   -2.88156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53797e+03    1.04207e+05    2.79966e+05   -1.71741e+04   -2.14975e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22297e+04   -1.72984e+06    3.48701e+05   -1.38114e+06   -1.33115e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12946e+02   -2.11616e+02    3.96188e+01    3.98241e-06

           Step           Time
        6975000    13950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25894e+03    1.79765e+04    1.24858e+04    1.14786e+03   -2.88660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58197e+03    1.04365e+05    2.79280e+05   -1.71723e+04   -2.15007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20226e+04   -1.73101e+06    3.46538e+05   -1.38448e+06   -1.33112e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11004e+02   -2.11574e+02    7.11424e+00    4.12447e-06

           Step           Time
        6980000    13960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52450e+03    1.82996e+04    1.24422e+04    1.11127e+03   -2.83104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63318e+03    1.03383e+05    2.80294e+05   -1.72015e+04   -2.15280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21153e+04   -1.73303e+06    3.49075e+05   -1.38396e+06   -1.33108e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13281e+02   -2.12293e+02    2.31055e-01    3.87012e-06

           Step           Time
        6985000    13970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68313e+03    1.84764e+04    1.24665e+04    1.11854e+03   -2.76549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35272e+03    1.03476e+05    2.79493e+05   -1.71772e+04   -2.14918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22234e+04   -1.72983e+06    3.50355e+05   -1.37947e+06   -1.33108e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14430e+02   -2.11694e+02    1.69853e+01    3.95599e-06

           Step           Time
        6990000    13980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49045e+03    1.84324e+04    1.26470e+04    1.14290e+03   -2.82469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56601e+03    1.04546e+05    2.79411e+05   -1.71466e+04   -2.14894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21413e+04   -1.72853e+06    3.49032e+05   -1.37950e+06   -1.33104e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13242e+02   -2.10941e+02    2.72366e-01    3.95549e-06

           Step           Time
        6995000    13990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50573e+03    1.79824e+04    1.24849e+04    1.11037e+03   -2.94439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52749e+03    1.04154e+05    2.79599e+05   -1.71648e+04   -2.15172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19638e+04   -1.73251e+06    3.47829e+05   -1.38468e+06   -1.33100e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12163e+02   -2.11389e+02   -1.58454e+01    3.94545e-06

           Step           Time
        7000000    14000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45713e+03    1.86080e+04    1.26203e+04    1.18159e+03   -2.78916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50208e+03    1.03946e+05    2.78265e+05   -1.71147e+04   -2.14702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22576e+04   -1.72809e+06    3.48647e+05   -1.37944e+06   -1.33098e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12897e+02   -2.10157e+02   -5.00711e+01    4.23123e-06

           Step           Time
        7005000    14010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45739e+03    1.85549e+04    1.24607e+04    1.07272e+03   -2.81100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62208e+03    1.04151e+05    2.79734e+05   -1.71553e+04   -2.14932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20765e+04   -1.72916e+06    3.49002e+05   -1.38016e+06   -1.33093e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13215e+02   -2.11155e+02    1.41117e+02    3.90839e-06

           Step           Time
        7010000    14020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64963e+03    1.82141e+04    1.24629e+04    1.12670e+03   -2.72230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57756e+03    1.03680e+05    2.79776e+05   -1.71523e+04   -2.14910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21753e+04   -1.72931e+06    3.49805e+05   -1.37950e+06   -1.33096e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13936e+02   -2.11080e+02    1.28274e+01    4.06461e-06

           Step           Time
        7015000    14030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77166e+03    1.86065e+04    1.24909e+04    1.04230e+03   -2.93489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53469e+03    1.04072e+05    2.80330e+05   -1.71694e+04   -2.14911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21816e+04   -1.72819e+06    3.49652e+05   -1.37854e+06   -1.33086e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13799e+02   -2.11503e+02    1.09985e+02    3.96974e-06

           Step           Time
        7020000    14040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38139e+03    1.86605e+04    1.25414e+04    1.10215e+03   -2.86208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53507e+03    1.03725e+05    2.78948e+05   -1.71507e+04   -2.14917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21896e+04   -1.73010e+06    3.48739e+05   -1.38136e+06   -1.33084e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12980e+02   -2.11042e+02   -1.72102e+01    3.93691e-06

           Step           Time
        7025000    14050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27750e+03    1.85048e+04    1.27256e+04    1.08288e+03   -2.84307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56888e+03    1.04086e+05    2.81676e+05   -1.72123e+04   -2.15351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20674e+04   -1.73158e+06    3.50837e+05   -1.38074e+06   -1.33084e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14862e+02   -2.12558e+02    1.62480e+02    4.24190e-06

           Step           Time
        7030000    14060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60490e+03    1.84584e+04    1.24746e+04    1.07879e+03   -2.79966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54248e+03    1.04226e+05    2.79751e+05   -1.71532e+04   -2.14792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21509e+04   -1.72758e+06    3.47971e+05   -1.37961e+06   -1.33077e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12290e+02   -2.11102e+02    8.48949e+01    4.10913e-06

           Step           Time
        7035000    14070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50019e+03    1.85743e+04    1.25019e+04    1.04845e+03   -2.97634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56635e+03    1.03839e+05    2.78975e+05   -1.71193e+04   -2.14972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20900e+04   -1.73072e+06    3.47965e+05   -1.38275e+06   -1.33077e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12285e+02   -2.10270e+02   -8.53478e+01    3.87661e-06

           Step           Time
        7040000    14080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56028e+03    1.83568e+04    1.25748e+04    1.18170e+03   -2.80561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55689e+03    1.03872e+05    2.81516e+05   -1.71610e+04   -2.15203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19979e+04   -1.73038e+06    3.48859e+05   -1.38152e+06   -1.33077e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13088e+02   -2.11294e+02    7.11612e+01    3.89852e-06

           Step           Time
        7045000    14090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62612e+03    1.87503e+04    1.24879e+04    1.13985e+03   -2.84266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42174e+03    1.04169e+05    2.76913e+05   -1.71675e+04   -2.14484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22545e+04   -1.72709e+06    3.49732e+05   -1.37735e+06   -1.33071e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13871e+02   -2.11454e+02   -3.01322e+01    4.03278e-06

           Step           Time
        7050000    14100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39831e+03    1.83964e+04    1.24974e+04    1.06545e+03   -2.85846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51705e+03    1.03969e+05    2.80754e+05   -1.71546e+04   -2.15063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19959e+04   -1.73005e+06    3.49018e+05   -1.38103e+06   -1.33065e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13230e+02   -2.11138e+02    7.33214e+01    4.03343e-06

           Step           Time
        7055000    14110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64310e+03    1.84874e+04    1.24507e+04    1.03022e+03   -2.85473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54180e+03    1.03761e+05    2.77216e+05   -1.71721e+04   -2.14853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21271e+04   -1.73129e+06    3.49932e+05   -1.38136e+06   -1.33062e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14050e+02   -2.11569e+02   -1.18921e+02    3.96571e-06

           Step           Time
        7060000    14120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70521e+03    1.87557e+04    1.24476e+04    1.07904e+03   -2.86636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48591e+03    1.03817e+05    2.81384e+05   -1.71796e+04   -2.15103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20861e+04   -1.72931e+06    3.49650e+05   -1.37966e+06   -1.33058e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13798e+02   -2.11752e+02    8.52472e+01    3.96539e-06

           Step           Time
        7065000    14130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78177e+03    1.81620e+04    1.26770e+04    1.03241e+03   -2.85888e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48548e+03    1.03942e+05    2.77403e+05   -1.71826e+04   -2.14604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22446e+04   -1.72835e+06    3.47637e+05   -1.38071e+06   -1.33058e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11991e+02   -2.11826e+02   -2.79470e+01    3.98060e-06

           Step           Time
        7070000    14140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60988e+03    1.85562e+04    1.25447e+04    1.03155e+03   -2.72253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56415e+03    1.03848e+05    2.77610e+05   -1.71801e+04   -2.14644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21055e+04   -1.72847e+06    3.48705e+05   -1.37977e+06   -1.33057e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12949e+02   -2.11764e+02   -2.48295e+01    3.96199e-06

           Step           Time
        7075000    14150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65523e+03    1.83117e+04    1.24349e+04    1.06706e+03   -2.81762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52985e+03    1.03716e+05    2.77218e+05   -1.71400e+04   -2.14561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22526e+04   -1.72839e+06    3.48884e+05   -1.37950e+06   -1.33053e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13110e+02   -2.10780e+02   -1.39458e-01    3.85140e-06

           Step           Time
        7080000    14160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35665e+03    1.82457e+04    1.25003e+04    1.14285e+03   -2.87959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56537e+03    1.03501e+05    2.78944e+05   -1.71703e+04   -2.14815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21506e+04   -1.72979e+06    3.49151e+05   -1.38064e+06   -1.33050e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13350e+02   -2.11523e+02    2.52322e+01    4.03740e-06

           Step           Time
        7085000    14170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52667e+03    1.80366e+04    1.26344e+04    1.09004e+03   -2.77225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49388e+03    1.03891e+05    2.79387e+05   -1.71972e+04   -2.15004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22906e+04   -1.73066e+06    3.47052e+05   -1.38361e+06   -1.33048e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11465e+02   -2.12185e+02    6.31105e+01    3.80834e-06

           Step           Time
        7090000    14180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54761e+03    1.86526e+04    1.25583e+04    1.08263e+03   -2.90549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43057e+03    1.03848e+05    2.77823e+05   -1.71993e+04   -2.14753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19974e+04   -1.72970e+06    3.48312e+05   -1.38138e+06   -1.33041e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12597e+02   -2.12237e+02   -3.07891e+01    4.08226e-06

           Step           Time
        7095000    14190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70405e+03    1.81062e+04    1.25483e+04    1.11481e+03   -2.88801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40126e+03    1.04091e+05    2.78182e+05   -1.71400e+04   -2.14836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20676e+04   -1.73017e+06    3.49629e+05   -1.38054e+06   -1.33040e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13778e+02   -2.10778e+02   -1.23452e+02    3.93321e-06

           Step           Time
        7100000    14200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70009e+03    1.81488e+04    1.25689e+04    1.17844e+03   -2.79118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57700e+03    1.04578e+05    2.78283e+05   -1.71856e+04   -2.14933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19619e+04   -1.73031e+06    3.49436e+05   -1.38088e+06   -1.33037e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13606e+02   -2.11901e+02   -5.62291e+01    3.97894e-06

           Step           Time
        7105000    14210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44779e+03    1.89052e+04    1.24545e+04    1.05231e+03   -2.81558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45914e+03    1.03935e+05    2.79562e+05   -1.71314e+04   -2.14922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22678e+04   -1.72908e+06    3.48635e+05   -1.38045e+06   -1.33031e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12887e+02   -2.10568e+02   -1.19731e+01    3.84197e-06

           Step           Time
        7110000    14220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63945e+03    1.84642e+04    1.24605e+04    1.17156e+03   -2.82159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55973e+03    1.03895e+05    2.75966e+05   -1.71169e+04   -2.14429e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23378e+04   -1.72773e+06    3.50879e+05   -1.37685e+06   -1.33035e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14900e+02   -2.10213e+02   -8.37398e+01    4.01599e-06

           Step           Time
        7115000    14230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36962e+03    1.84510e+04    1.23543e+04    1.05958e+03   -2.66015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56915e+03    1.04068e+05    2.76194e+05   -1.71629e+04   -2.14379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24068e+04   -1.72714e+06    3.49881e+05   -1.37726e+06   -1.33024e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14004e+02   -2.11343e+02   -3.78336e+01    4.07866e-06

           Step           Time
        7120000    14240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60531e+03    1.86109e+04    1.23354e+04    1.12946e+03   -2.82176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46850e+03    1.03985e+05    2.78284e+05   -1.71542e+04   -2.14840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23207e+04   -1.72964e+06    3.48568e+05   -1.38107e+06   -1.33023e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12826e+02   -2.11129e+02   -1.14045e+02    4.05791e-06

           Step           Time
        7125000    14250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45922e+03    1.84455e+04    1.23668e+04    1.16457e+03   -2.77928e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47006e+03    1.03704e+05    2.79136e+05   -1.71514e+04   -2.14639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21885e+04   -1.72739e+06    3.49465e+05   -1.37792e+06   -1.33020e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13631e+02   -2.11058e+02   -2.00379e+01    4.11901e-06

           Step           Time
        7130000    14260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60908e+03    1.79535e+04    1.25851e+04    1.09739e+03   -2.82888e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57511e+03    1.03454e+05    2.77353e+05   -1.71465e+04   -2.14621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20349e+04   -1.72953e+06    3.47469e+05   -1.38206e+06   -1.33015e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11840e+02   -2.10939e+02   -1.02384e+02    3.98127e-06

           Step           Time
        7135000    14270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54480e+03    1.83055e+04    1.24525e+04    1.05998e+03   -2.89800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48174e+03    1.04115e+05    2.83576e+05   -1.71644e+04   -2.15358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20257e+04   -1.73008e+06    3.48849e+05   -1.38123e+06   -1.33012e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13078e+02   -2.11378e+02    1.42303e+02    4.07282e-06

           Step           Time
        7140000    14280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37975e+03    1.82448e+04    1.25302e+04    1.09824e+03   -2.68985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63111e+03    1.04131e+05    2.79854e+05   -1.72034e+04   -2.15050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22437e+04   -1.73028e+06    3.51338e+05   -1.37894e+06   -1.33011e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15313e+02   -2.12339e+02    4.17589e+01    4.19334e-06

           Step           Time
        7145000    14290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51244e+03    1.86718e+04    1.23778e+04    1.09147e+03   -2.89979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67615e+03    1.03583e+05    2.79285e+05   -1.71157e+04   -2.14734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20387e+04   -1.72812e+06    3.49362e+05   -1.37876e+06   -1.33002e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13539e+02   -2.10182e+02    6.66525e+01    3.97833e-06

           Step           Time
        7150000    14300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49514e+03    1.82196e+04    1.22123e+04    1.04015e+03   -2.67876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41291e+03    1.04164e+05    2.80640e+05   -1.71532e+04   -2.15087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21186e+04   -1.73040e+06    3.49449e+05   -1.38095e+06   -1.33003e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13617e+02   -2.11104e+02    1.54742e+01    3.96584e-06

           Step           Time
        7155000    14310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78883e+03    1.82296e+04    1.24325e+04    1.03857e+03   -2.82277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40137e+03    1.03366e+05    2.80866e+05   -1.72087e+04   -2.15306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22358e+04   -1.73274e+06    3.49201e+05   -1.38354e+06   -1.32997e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13394e+02   -2.12469e+02   -3.27462e+00    3.94907e-06

           Step           Time
        7160000    14320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40967e+03    1.81605e+04    1.25686e+04    9.74193e+02   -2.90689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43627e+03    1.04022e+05    2.80195e+05   -1.71743e+04   -2.15020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22031e+04   -1.73031e+06    3.48308e+05   -1.38200e+06   -1.32992e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12593e+02   -2.11622e+02    2.13212e+01    3.90149e-06

           Step           Time
        7165000    14330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58768e+03    1.83708e+04    1.24976e+04    1.13599e+03   -2.74329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60884e+03    1.03627e+05    2.80926e+05   -1.71783e+04   -2.15114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21655e+04   -1.73015e+06    3.49071e+05   -1.38108e+06   -1.32989e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13277e+02   -2.11722e+02    1.28110e+02    3.95584e-06

           Step           Time
        7170000    14340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70820e+03    1.82013e+04    1.26169e+04    1.15710e+03   -2.94339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47939e+03    1.03789e+05    2.77526e+05   -1.71273e+04   -2.14533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20581e+04   -1.72787e+06    3.48173e+05   -1.37969e+06   -1.32982e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12471e+02   -2.10468e+02   -7.72950e+01    3.99508e-06

           Step           Time
        7175000    14350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42650e+03    1.82908e+04    1.24790e+04    1.09504e+03   -2.97699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65868e+03    1.03799e+05    2.78969e+05   -1.71834e+04   -2.14858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20218e+04   -1.73000e+06    3.49200e+05   -1.38080e+06   -1.32982e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13393e+02   -2.11846e+02    4.58336e+01    4.09229e-06

           Step           Time
        7180000    14360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68831e+03    1.85131e+04    1.24087e+04    1.09529e+03   -2.80533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49913e+03    1.03282e+05    2.79382e+05   -1.71327e+04   -2.14729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19926e+04   -1.72837e+06    3.48556e+05   -1.37982e+06   -1.32979e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12815e+02   -2.10599e+02    2.61427e+01    4.02233e-06

           Step           Time
        7185000    14370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46064e+03    1.82245e+04    1.24023e+04    1.01076e+03   -2.80741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62704e+03    1.03702e+05    2.81530e+05   -1.71447e+04   -2.15135e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18377e+04   -1.73051e+06    3.47812e+05   -1.38270e+06   -1.32976e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12148e+02   -2.10895e+02    9.72748e+01    4.12321e-06

           Step           Time
        7190000    14380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59025e+03    1.83760e+04    1.24810e+04    1.09095e+03   -2.83481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36629e+03    1.03664e+05    2.79444e+05   -1.71569e+04   -2.14917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21575e+04   -1.72999e+06    3.49059e+05   -1.38093e+06   -1.32969e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13267e+02   -2.11194e+02   -1.50084e+01    4.04256e-06

           Step           Time
        7195000    14390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57779e+03    1.85075e+04    1.25579e+04    9.71721e+02   -2.86776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52356e+03    1.03330e+05    2.78387e+05   -1.71482e+04   -2.14836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22115e+04   -1.73031e+06    3.49803e+05   -1.38051e+06   -1.32970e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13935e+02   -2.10981e+02   -6.91562e+01    3.96579e-06

           Step           Time
        7200000    14400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42117e+03    1.81581e+04    1.24829e+04    1.06266e+03   -2.71874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55397e+03    1.03624e+05    2.79316e+05   -1.71779e+04   -2.15112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19626e+04   -1.73244e+06    3.49566e+05   -1.38287e+06   -1.32965e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13722e+02   -2.11710e+02    2.00394e+01    3.92280e-06

           Step           Time
        7205000    14410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46494e+03    1.83912e+04    1.24675e+04    1.06178e+03   -2.81385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.29297e+03    1.03460e+05    2.79377e+05   -1.71045e+04   -2.14818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21942e+04   -1.72939e+06    3.48344e+05   -1.38105e+06   -1.32959e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12625e+02   -2.09906e+02   -8.26740e+01    4.04101e-06

           Step           Time
        7210000    14420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71394e+03    1.79220e+04    1.24449e+04    1.15480e+03   -2.79484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62859e+03    1.04149e+05    2.77349e+05   -1.71745e+04   -2.14743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20008e+04   -1.73004e+06    3.49250e+05   -1.38079e+06   -1.32955e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13438e+02   -2.11626e+02   -8.51599e+01    3.93052e-06

           Step           Time
        7215000    14430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48589e+03    1.81188e+04    1.26090e+04    1.06519e+03   -2.90233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50078e+03    1.03952e+05    2.79142e+05   -1.71620e+04   -2.14961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21524e+04   -1.73065e+06    3.48505e+05   -1.38215e+06   -1.32952e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12770e+02   -2.11319e+02   -1.28161e+01    4.00589e-06

           Step           Time
        7220000    14440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47873e+03    1.82510e+04    1.26331e+04    1.13094e+03   -2.81694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43015e+03    1.03694e+05    2.78820e+05   -1.71551e+04   -2.15134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19865e+04   -1.73288e+06    3.47156e+05   -1.38573e+06   -1.32945e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11559e+02   -2.11151e+02   -7.02014e+01    3.98531e-06

           Step           Time
        7225000    14450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43447e+03    1.82589e+04    1.26017e+04    1.04890e+03   -2.76729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55575e+03    1.04005e+05    2.76823e+05   -1.71639e+04   -2.14700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20417e+04   -1.73016e+06    3.49331e+05   -1.38083e+06   -1.32945e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13511e+02   -2.11365e+02   -6.06819e+01    3.93204e-06

           Step           Time
        7230000    14460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45458e+03    1.82184e+04    1.24539e+04    1.04106e+03   -2.78603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48330e+03    1.03793e+05    2.78899e+05   -1.71720e+04   -2.15008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22266e+04   -1.73147e+06    3.48434e+05   -1.38303e+06   -1.32943e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12706e+02   -2.11566e+02   -2.34550e+01    3.96237e-06

           Step           Time
        7235000    14470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65581e+03    1.80846e+04    1.24101e+04    1.04632e+03   -2.88740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44875e+03    1.03897e+05    2.77386e+05   -1.71696e+04   -2.14490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20667e+04   -1.72796e+06    3.47562e+05   -1.38040e+06   -1.32940e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11923e+02   -2.11505e+02   -7.17073e+01    3.92038e-06

           Step           Time
        7240000    14480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42158e+03    1.81717e+04    1.25915e+04    1.08694e+03   -2.92805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58450e+03    1.03776e+05    2.79064e+05   -1.71787e+04   -2.14886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21362e+04   -1.73013e+06    3.49329e+05   -1.38080e+06   -1.32938e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13510e+02   -2.11730e+02    7.09040e+01    3.90731e-06

           Step           Time
        7245000    14490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60984e+03    1.85795e+04    1.24147e+04    1.08036e+03   -2.80617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44822e+03    1.03470e+05    2.76181e+05   -1.71571e+04   -2.14324e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23088e+04   -1.72711e+06    3.52226e+05   -1.37488e+06   -1.32938e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.16109e+02   -2.11198e+02   -6.22723e+01    4.20309e-06

           Step           Time
        7250000    14500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80685e+03    1.85901e+04    1.24440e+04    1.08888e+03   -2.81027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36558e+03    1.03399e+05    2.80544e+05   -1.71733e+04   -2.15075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19495e+04   -1.73054e+06    3.47564e+05   -1.38298e+06   -1.32931e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11926e+02   -2.11598e+02   -2.75271e+01    3.89571e-06

           Step           Time
        7255000    14510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32559e+03    1.84525e+04    1.26541e+04    1.11386e+03   -2.89625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43325e+03    1.03708e+05    2.78935e+05   -1.71806e+04   -2.14926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18402e+04   -1.73088e+06    3.49571e+05   -1.38130e+06   -1.32929e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13726e+02   -2.11778e+02    2.63081e+01    3.87521e-06

           Step           Time
        7260000    14520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31103e+03    1.82242e+04    1.25252e+04    1.05242e+03   -2.89337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57763e+03    1.03758e+05    2.79762e+05   -1.71458e+04   -2.15084e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19871e+04   -1.73168e+06    3.49099e+05   -1.38258e+06   -1.32928e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13303e+02   -2.10922e+02   -1.11179e+01    3.91915e-06

           Step           Time
        7265000    14530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41112e+03    1.78724e+04    1.24073e+04    1.20445e+03   -2.83969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49837e+03    1.04033e+05    2.79586e+05   -1.71816e+04   -2.15252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20430e+04   -1.73349e+06    3.49023e+05   -1.38447e+06   -1.32923e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13235e+02   -2.11801e+02   -4.91535e+01    3.81897e-06

           Step           Time
        7270000    14540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78573e+03    1.81494e+04    1.23414e+04    1.11665e+03   -2.81677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47773e+03    1.03951e+05    2.79675e+05   -1.71870e+04   -2.15084e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18429e+04   -1.73150e+06    3.48505e+05   -1.38300e+06   -1.32917e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12770e+02   -2.11935e+02    1.61184e+01    3.93621e-06

           Step           Time
        7275000    14550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48686e+03    1.81631e+04    1.23416e+04    1.06959e+03   -2.78809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62770e+03    1.03783e+05    2.81764e+05   -1.71792e+04   -2.15229e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21284e+04   -1.73089e+06    3.48014e+05   -1.38288e+06   -1.32912e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12329e+02   -2.11744e+02    1.21838e+02    3.97245e-06

           Step           Time
        7280000    14560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72915e+03    1.78346e+04    1.26355e+04    1.13386e+03   -2.79999e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44845e+03    1.03430e+05    2.77905e+05   -1.71729e+04   -2.14829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20502e+04   -1.73110e+06    3.48158e+05   -1.38294e+06   -1.32915e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12458e+02   -2.11589e+02   -1.28902e+02    3.93678e-06

           Step           Time
        7285000    14570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68805e+03    1.86531e+04    1.25727e+04    1.09630e+03   -2.83818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38620e+03    1.03984e+05    2.79494e+05   -1.71577e+04   -2.14925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21862e+04   -1.72918e+06    3.49326e+05   -1.37986e+06   -1.32908e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13506e+02   -2.11214e+02   -2.20796e+01    3.99636e-06

           Step           Time
        7290000    14580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60819e+03    1.81243e+04    1.24670e+04    1.05692e+03   -2.84937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53990e+03    1.04395e+05    2.79023e+05   -1.71530e+04   -2.14714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20868e+04   -1.72784e+06    3.47843e+05   -1.38000e+06   -1.32906e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12175e+02   -2.11099e+02    4.00702e+01    3.86685e-06

           Step           Time
        7295000    14590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57640e+03    1.87984e+04    1.24941e+04    1.04630e+03   -2.92972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54340e+03    1.03614e+05    2.77669e+05   -1.72176e+04   -2.14932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20170e+04   -1.73171e+06    3.49562e+05   -1.38214e+06   -1.32906e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13719e+02   -2.12689e+02   -7.92902e+01    4.08606e-06

           Step           Time
        7300000    14600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49348e+03    1.84437e+04    1.22859e+04    1.19178e+03   -2.81088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50361e+03    1.04104e+05    2.79026e+05   -1.71759e+04   -2.14812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21273e+04   -1.72893e+06    3.49279e+05   -1.37965e+06   -1.32901e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13464e+02   -2.11662e+02    6.10779e+00    4.11353e-06

           Step           Time
        7305000    14610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76999e+03    1.83846e+04    1.25337e+04    1.15326e+03   -2.88622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43677e+03    1.03883e+05    2.77704e+05   -1.71828e+04   -2.14652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20147e+04   -1.72871e+06    3.48488e+05   -1.38022e+06   -1.32895e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12754e+02   -2.11832e+02   -3.43847e+01    3.99485e-06

           Step           Time
        7310000    14620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59967e+03    1.82305e+04    1.24780e+04    1.15662e+03   -2.90730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57891e+03    1.03612e+05    2.78437e+05   -1.71672e+04   -2.14865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20160e+04   -1.73061e+06    3.48592e+05   -1.38202e+06   -1.32895e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12848e+02   -2.11448e+02   -2.42258e+00    4.06723e-06

           Step           Time
        7315000    14630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43084e+03    1.82685e+04    1.24745e+04    1.08988e+03   -2.86616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58358e+03    1.03625e+05    2.76160e+05   -1.71502e+04   -2.14466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21012e+04   -1.72894e+06    3.47385e+05   -1.38156e+06   -1.32895e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11764e+02   -2.11029e+02   -6.02254e+01    3.95442e-06

           Step           Time
        7320000    14640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48326e+03    1.83311e+04    1.25913e+04    1.18145e+03   -2.88890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46969e+03    1.03519e+05    2.80621e+05   -1.71639e+04   -2.15056e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22720e+04   -1.73015e+06    3.48652e+05   -1.38150e+06   -1.32887e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12902e+02   -2.11367e+02    8.68640e+01    3.89022e-06

           Step           Time
        7325000    14650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66820e+03    1.84466e+04    1.24784e+04    1.14728e+03   -2.79768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44046e+03    1.04188e+05    2.80576e+05   -1.71584e+04   -2.14787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22061e+04   -1.72667e+06    3.49602e+05   -1.37707e+06   -1.32884e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13755e+02   -2.11230e+02    9.56202e+01    3.96515e-06

           Step           Time
        7330000    14660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56962e+03    1.83413e+04    1.24850e+04    1.03184e+03   -2.89555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47480e+03    1.03725e+05    2.79624e+05   -1.71613e+04   -2.14949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21654e+04   -1.73013e+06    3.49411e+05   -1.38072e+06   -1.32884e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13583e+02   -2.11303e+02    1.32224e+01    4.07032e-06

           Step           Time
        7335000    14670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41138e+03    1.80305e+04    1.23923e+04    1.07982e+03   -2.81738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53833e+03    1.03781e+05    2.80009e+05   -1.71663e+04   -2.14840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21298e+04   -1.72901e+06    3.49924e+05   -1.37909e+06   -1.32882e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14043e+02   -2.11426e+02    7.88000e+01    4.16155e-06

           Step           Time
        7340000    14680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60816e+03    1.82502e+04    1.23678e+04    1.02557e+03   -2.79831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53618e+03    1.03775e+05    2.82533e+05   -1.71463e+04   -2.14974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21964e+04   -1.72739e+06    3.50455e+05   -1.37693e+06   -1.32878e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14520e+02   -2.10933e+02    1.22929e+02    4.10422e-06

           Step           Time
        7345000    14690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70600e+03    1.86167e+04    1.25264e+04    1.10019e+03   -2.94619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58702e+03    1.03791e+05    2.81009e+05   -1.71774e+04   -2.15000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22104e+04   -1.72858e+06    3.49348e+05   -1.37923e+06   -1.32872e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13526e+02   -2.11699e+02    1.24813e+02    3.96540e-06

           Step           Time
        7350000    14700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47488e+03    1.83611e+04    1.24467e+04    1.02670e+03   -2.92152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52532e+03    1.03571e+05    2.74513e+05   -1.71700e+04   -2.14075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21564e+04   -1.72676e+06    3.48228e+05   -1.37853e+06   -1.32873e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12521e+02   -2.11516e+02   -1.34985e+02    4.12433e-06

           Step           Time
        7355000    14710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40652e+03    1.79712e+04    1.23281e+04    1.05432e+03   -2.82285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58575e+03    1.04160e+05    2.79309e+05   -1.71565e+04   -2.14850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20461e+04   -1.72961e+06    3.48482e+05   -1.38113e+06   -1.32868e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12749e+02   -2.11184e+02    4.19763e+01    4.12512e-06

           Step           Time
        7360000    14720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56712e+03    1.77868e+04    1.25821e+04    1.11675e+03   -2.96021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55598e+03    1.04226e+05    2.77703e+05   -1.71112e+04   -2.14620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20167e+04   -1.72872e+06    3.47300e+05   -1.38142e+06   -1.32865e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11688e+02   -2.10071e+02   -7.09858e+01    4.05276e-06

           Step           Time
        7365000    14730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49983e+03    1.86777e+04    1.25514e+04    1.19803e+03   -2.93537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53000e+03    1.03714e+05    2.77323e+05   -1.71670e+04   -2.14657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20481e+04   -1.72913e+06    3.48422e+05   -1.38071e+06   -1.32855e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12696e+02   -2.11444e+02   -2.62513e+01    3.99327e-06

           Step           Time
        7370000    14740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65364e+03    1.87831e+04    1.26507e+04    1.10923e+03   -2.87024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43463e+03    1.03318e+05    2.78445e+05   -1.72062e+04   -2.14711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19873e+04   -1.72881e+06    3.49459e+05   -1.37935e+06   -1.32856e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13626e+02   -2.12408e+02   -2.48662e+01    4.02541e-06

           Step           Time
        7375000    14750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49462e+03    1.81153e+04    1.25333e+04    1.08209e+03   -2.84653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58437e+03    1.04426e+05    2.80386e+05   -1.71817e+04   -2.15162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21247e+04   -1.73090e+06    3.50196e+05   -1.38070e+06   -1.32850e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14287e+02   -2.11804e+02    9.49559e+01    4.03067e-06

           Step           Time
        7380000    14760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44251e+03    1.79532e+04    1.26110e+04    1.09066e+03   -2.79191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61337e+03    1.03924e+05    2.79458e+05   -1.71651e+04   -2.14768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21489e+04   -1.72840e+06    3.50293e+05   -1.37810e+06   -1.32853e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14374e+02   -2.11395e+02    5.02524e+01    4.02885e-06

           Step           Time
        7385000    14770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57214e+03    1.83185e+04    1.23518e+04    1.17745e+03   -2.74701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59894e+03    1.04461e+05    2.77978e+05   -1.72032e+04   -2.14755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20946e+04   -1.72894e+06    3.49708e+05   -1.37923e+06   -1.32847e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13849e+02   -2.12335e+02   -1.58759e+01    4.13565e-06

           Step           Time
        7390000    14780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61850e+03    1.85217e+04    1.24311e+04    1.04069e+03   -2.75547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40432e+03    1.03828e+05    2.79737e+05   -1.72155e+04   -2.15082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20094e+04   -1.73120e+06    3.49964e+05   -1.38124e+06   -1.32844e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14079e+02   -2.12637e+02    1.05238e+01    4.07696e-06

Writing checkpoint, step 7391300 at Thu Dec  7 07:27:56 2023


           Step           Time
        7395000    14790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64262e+03    1.83061e+04    1.24769e+04    1.07387e+03   -2.85261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53259e+03    1.03639e+05    2.80207e+05   -1.71778e+04   -2.15229e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20002e+04   -1.73245e+06    3.49986e+05   -1.38246e+06   -1.32842e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14099e+02   -2.11709e+02    4.77455e+01    4.13127e-06

           Step           Time
        7400000    14800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34895e+03    1.86210e+04    1.24694e+04    1.21204e+03   -2.83606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44938e+03    1.03669e+05    2.81313e+05   -1.71898e+04   -2.15185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22170e+04   -1.73058e+06    3.49210e+05   -1.38137e+06   -1.32838e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13402e+02   -2.12004e+02    1.09635e+02    4.03695e-06

           Step           Time
        7405000    14810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58763e+03    1.76869e+04    1.22829e+04    1.09420e+03   -2.79988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54159e+03    1.03984e+05    2.79654e+05   -1.71585e+04   -2.15348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19745e+04   -1.73463e+06    3.46267e+05   -1.38837e+06   -1.32832e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10761e+02   -2.11234e+02   -9.26133e+01    3.91083e-06

           Step           Time
        7410000    14820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35908e+03    1.81347e+04    1.24306e+04    1.05763e+03   -2.84458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62985e+03    1.04116e+05    2.77954e+05   -1.71767e+04   -2.14878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21203e+04   -1.73100e+06    3.46526e+05   -1.38447e+06   -1.32830e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10994e+02   -2.11681e+02   -4.66084e+00    3.93694e-06

           Step           Time
        7415000    14830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43186e+03    1.82625e+04    1.22895e+04    1.10271e+03   -2.76992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60321e+03    1.04210e+05    2.77813e+05   -1.71648e+04   -2.14690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22430e+04   -1.72888e+06    3.49055e+05   -1.37982e+06   -1.32825e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13263e+02   -2.11387e+02   -2.42418e+01    4.13825e-06

           Step           Time
        7420000    14840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39882e+03    1.83836e+04    1.23366e+04    1.09128e+03   -2.84442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54164e+03    1.04023e+05    2.80554e+05   -1.72114e+04   -2.15165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18792e+04   -1.73150e+06    3.47268e+05   -1.38423e+06   -1.32819e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11660e+02   -2.12537e+02    8.83882e+01    3.99407e-06

           Step           Time
        7425000    14850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70711e+03    1.82621e+04    1.24916e+04    1.15380e+03   -2.74192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47853e+03    1.04006e+05    2.77570e+05   -1.71729e+04   -2.14713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22338e+04   -1.72914e+06    3.49028e+05   -1.38011e+06   -1.32819e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13239e+02   -2.11588e+02   -6.53570e+01    4.10584e-06

           Step           Time
        7430000    14860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63832e+03    1.83259e+04    1.23136e+04    1.13465e+03   -2.86817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56314e+03    1.03472e+05    2.76971e+05   -1.71430e+04   -2.14694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20764e+04   -1.73045e+06    3.50193e+05   -1.38026e+06   -1.32815e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14285e+02   -2.10853e+02   -1.13965e+02    4.10156e-06

           Step           Time
        7435000    14870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60921e+03    1.81875e+04    1.24453e+04    1.03353e+03   -2.85523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51656e+03    1.03742e+05    2.80869e+05   -1.71768e+04   -2.15192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21735e+04   -1.73138e+06    3.48660e+05   -1.38272e+06   -1.32810e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12909e+02   -2.11683e+02    5.69549e+01    4.06801e-06

           Step           Time
        7440000    14880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56106e+03    1.83558e+04    1.23738e+04    1.05504e+03   -2.73795e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52256e+03    1.04030e+05    2.78722e+05   -1.71908e+04   -2.14826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19954e+04   -1.72958e+06    3.47362e+05   -1.38222e+06   -1.32802e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11744e+02   -2.12029e+02    3.56243e+01    3.97922e-06

           Step           Time
        7445000    14890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41848e+03    1.82442e+04    1.23268e+04    1.00757e+03   -2.76982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53009e+03    1.04145e+05    2.82153e+05   -1.72052e+04   -2.15422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22927e+04   -1.73208e+06    3.49707e+05   -1.38237e+06   -1.32801e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13848e+02   -2.12384e+02    9.46589e+01    3.97030e-06

           Step           Time
        7450000    14900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70709e+03    1.84142e+04    1.22586e+04    1.13198e+03   -2.70998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49156e+03    1.04194e+05    2.80167e+05   -1.71544e+04   -2.14968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19943e+04   -1.72919e+06    3.47704e+05   -1.38149e+06   -1.32798e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12050e+02   -2.11134e+02    8.42587e+00    3.98681e-06

           Step           Time
        7455000    14910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50785e+03    1.81039e+04    1.24450e+04    1.01604e+03   -2.92203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56769e+03    1.03986e+05    2.76648e+05   -1.71621e+04   -2.14504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19052e+04   -1.72894e+06    3.47698e+05   -1.38125e+06   -1.32796e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12045e+02   -2.11323e+02   -4.06416e+01    4.01674e-06

           Step           Time
        7460000    14920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33365e+03    1.83097e+04    1.20688e+04    1.03696e+03   -2.71333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64557e+03    1.03653e+05    2.81353e+05   -1.72565e+04   -2.15373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22193e+04   -1.73308e+06    3.48357e+05   -1.38472e+06   -1.32792e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12637e+02   -2.13652e+02    1.74138e+02    3.96619e-06

           Step           Time
        7465000    14930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50729e+03    1.86803e+04    1.23870e+04    1.08383e+03   -2.90047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44978e+03    1.03585e+05    2.79720e+05   -1.71590e+04   -2.14866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21325e+04   -1.72917e+06    3.47969e+05   -1.38120e+06   -1.32787e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12289e+02   -2.11245e+02   -2.40962e+01    3.94056e-06

           Step           Time
        7470000    14940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50317e+03    1.83565e+04    1.23635e+04    1.08199e+03   -2.81877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62618e+03    1.03532e+05    2.78218e+05   -1.71567e+04   -2.14781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20596e+04   -1.73004e+06    3.47912e+05   -1.38213e+06   -1.32791e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12238e+02   -2.11188e+02   -1.32362e+01    3.95147e-06

           Step           Time
        7475000    14950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44451e+03    1.82259e+04    1.21973e+04    1.11156e+03   -2.80249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62093e+03    1.03956e+05    2.78562e+05   -1.71604e+04   -2.14673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22519e+04   -1.72832e+06    3.50306e+05   -1.37802e+06   -1.32784e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14386e+02   -2.11280e+02    3.63213e+01    4.09703e-06

           Step           Time
        7480000    14960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58486e+03    1.82488e+04    1.22899e+04    1.13914e+03   -2.81681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55779e+03    1.03742e+05    2.80558e+05   -1.71829e+04   -2.14995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20850e+04   -1.72975e+06    3.47510e+05   -1.38224e+06   -1.32777e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11877e+02   -2.11834e+02    8.39404e+01    3.98247e-06

           Step           Time
        7485000    14970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60760e+03    1.80229e+04    1.21935e+04    1.21139e+03   -2.82264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57619e+03    1.03744e+05    2.80731e+05   -1.71546e+04   -2.15020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20840e+04   -1.73001e+06    3.46496e+05   -1.38351e+06   -1.32773e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10967e+02   -2.11137e+02   -2.07729e+01    3.91911e-06

           Step           Time
        7490000    14980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59615e+03    1.80647e+04    1.23229e+04    1.12301e+03   -2.78833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58024e+03    1.03862e+05    2.77328e+05   -1.72159e+04   -2.14833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22108e+04   -1.73125e+06    3.48863e+05   -1.38238e+06   -1.32770e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13091e+02   -2.12648e+02   -3.62600e+01    4.10535e-06

           Step           Time
        7495000    14990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38179e+03    1.82636e+04    1.22617e+04    1.07500e+03   -2.84231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45260e+03    1.04272e+05    2.79421e+05   -1.71439e+04   -2.15022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19673e+04   -1.73111e+06    3.48015e+05   -1.38309e+06   -1.32768e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12330e+02   -2.10875e+02   -5.17019e+01    3.87108e-06

           Step           Time
        7500000    15000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45353e+03    1.84184e+04    1.25481e+04    1.08747e+03   -2.90677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51184e+03    1.03424e+05    2.77767e+05   -1.71654e+04   -2.14700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20423e+04   -1.72982e+06    3.48893e+05   -1.38092e+06   -1.32767e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13118e+02   -2.11403e+02   -3.13665e+01    3.99968e-06

           Step           Time
        7505000    15010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52092e+03    1.82713e+04    1.25413e+04    1.14541e+03   -2.83018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46754e+03    1.03726e+05    2.80307e+05   -1.71290e+04   -2.14971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20961e+04   -1.72959e+06    3.48848e+05   -1.38074e+06   -1.32760e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13078e+02   -2.10509e+02    9.59322e+00    4.01158e-06

           Step           Time
        7510000    15020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45650e+03    1.86178e+04    1.25655e+04    1.05400e+03   -2.92794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56119e+03    1.03911e+05    2.81733e+05   -1.71993e+04   -2.15349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19646e+04   -1.73175e+06    3.48706e+05   -1.38305e+06   -1.32759e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12950e+02   -2.12238e+02    1.40444e+02    3.84364e-06

           Step           Time
        7515000    15030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50488e+03    1.80660e+04    1.24729e+04    1.10326e+03   -2.77117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46051e+03    1.03728e+05    2.78268e+05   -1.71632e+04   -2.14789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20599e+04   -1.73016e+06    3.48410e+05   -1.38175e+06   -1.32759e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12684e+02   -2.11350e+02   -8.13604e+01    3.99757e-06

           Step           Time
        7520000    15040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49238e+03    1.83518e+04    1.25307e+04    1.09726e+03   -2.90863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60687e+03    1.04156e+05    2.80287e+05   -1.71131e+04   -2.14791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20668e+04   -1.72734e+06    3.49744e+05   -1.37760e+06   -1.32757e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13882e+02   -2.10119e+02    7.45465e+01    4.02934e-06

           Step           Time
        7525000    15050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47487e+03    1.82076e+04    1.22181e+04    1.10343e+03   -2.78199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42012e+03    1.03837e+05    2.77015e+05   -1.71884e+04   -2.14854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21469e+04   -1.73209e+06    3.47650e+05   -1.38444e+06   -1.32748e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12002e+02   -2.11968e+02   -1.34346e+02    4.00817e-06

           Step           Time
        7530000    15060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56667e+03    1.82409e+04    1.23973e+04    1.11509e+03   -2.80841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48584e+03    1.03674e+05    2.77636e+05   -1.71620e+04   -2.14961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20978e+04   -1.73237e+06    3.47123e+05   -1.38524e+06   -1.32745e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11529e+02   -2.11321e+02   -1.19578e+02    3.85212e-06

           Step           Time
        7535000    15070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47439e+03    1.81822e+04    1.24400e+04    9.88943e+02   -2.81085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55788e+03    1.03958e+05    2.77743e+05   -1.72052e+04   -2.14933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19456e+04   -1.73205e+06    3.48639e+05   -1.38342e+06   -1.32743e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12890e+02   -2.12385e+02   -3.93193e+01    3.87620e-06

           Step           Time
        7540000    15080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45374e+03    1.83798e+04    1.24628e+04    1.05025e+03   -2.77073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45693e+03    1.03846e+05    2.76279e+05   -1.71598e+04   -2.14385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21821e+04   -1.72767e+06    3.46467e+05   -1.38120e+06   -1.32740e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10941e+02   -2.11266e+02   -1.58276e+02    4.02936e-06

           Step           Time
        7545000    15090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70657e+03    1.84670e+04    1.25232e+04    1.05591e+03   -2.90090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53161e+03    1.03771e+05    2.79557e+05   -1.71751e+04   -2.14834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20856e+04   -1.72871e+06    3.48383e+05   -1.38033e+06   -1.32738e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12660e+02   -2.11643e+02    1.82378e+01    3.91682e-06

           Step           Time
        7550000    15100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54786e+03    1.84952e+04    1.25265e+04    1.07743e+03   -2.77180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65153e+03    1.03847e+05    2.80073e+05   -1.71854e+04   -2.15213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21292e+04   -1.73174e+06    3.49051e+05   -1.38269e+06   -1.32732e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13260e+02   -2.11896e+02    3.56774e+01    3.94607e-06

           Step           Time
        7555000    15110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55915e+03    1.81012e+04    1.24397e+04    1.13903e+03   -2.91904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43175e+03    1.04107e+05    2.79833e+05   -1.71510e+04   -2.15060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21751e+04   -1.73089e+06    3.47605e+05   -1.38328e+06   -1.32734e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11962e+02   -2.11048e+02    5.40543e+00    3.97728e-06

           Step           Time
        7560000    15120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64452e+03    1.80888e+04    1.24758e+04    1.18447e+03   -2.86656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55858e+03    1.04103e+05    2.80012e+05   -1.71721e+04   -2.15195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21671e+04   -1.73175e+06    3.47972e+05   -1.38378e+06   -1.32727e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12291e+02   -2.11569e+02   -1.00354e+01    4.02077e-06

           Step           Time
        7565000    15130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62567e+03    1.79552e+04    1.25366e+04    1.13632e+03   -2.80949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46106e+03    1.03641e+05    2.79991e+05   -1.71461e+04   -2.15057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19619e+04   -1.73121e+06    3.46532e+05   -1.38468e+06   -1.32729e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10999e+02   -2.10929e+02   -1.97658e+01    4.07714e-06

           Step           Time
        7570000    15140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42665e+03    1.80672e+04    1.25128e+04    1.12552e+03   -2.83407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51727e+03    1.03672e+05    2.79031e+05   -1.72010e+04   -2.15091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21580e+04   -1.73244e+06    3.50055e+05   -1.38238e+06   -1.32727e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14161e+02   -2.12279e+02   -3.88743e+01    4.10985e-06

           Step           Time
        7575000    15150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51596e+03    1.84257e+04    1.26025e+04    1.10315e+03   -2.76254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52333e+03    1.03633e+05    2.79689e+05   -1.71677e+04   -2.15134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20304e+04   -1.73174e+06    3.49595e+05   -1.38215e+06   -1.32721e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13748e+02   -2.11459e+02    4.16281e+01    3.97794e-06

           Step           Time
        7580000    15160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56404e+03    1.81478e+04    1.24030e+04    1.03924e+03   -2.78111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50089e+03    1.03897e+05    2.78548e+05   -1.71330e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21048e+04   -1.73091e+06    3.49402e+05   -1.38150e+06   -1.32718e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13575e+02   -2.10606e+02   -4.71291e+01    3.95362e-06

           Step           Time
        7585000    15170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59034e+03    1.87235e+04    1.23253e+04    1.07391e+03   -2.70652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54584e+03    1.03761e+05    2.79717e+05   -1.72003e+04   -2.15004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21165e+04   -1.73009e+06    3.48587e+05   -1.38150e+06   -1.32711e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12843e+02   -2.12264e+02    9.56822e+00    3.86602e-06

           Step           Time
        7590000    15180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56112e+03    1.79596e+04    1.23251e+04    1.13342e+03   -2.77469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51676e+03    1.04138e+05    2.78399e+05   -1.71766e+04   -2.14860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21974e+04   -1.73032e+06    3.47968e+05   -1.38235e+06   -1.32712e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12287e+02   -2.11680e+02   -3.75548e+01    3.92486e-06

           Step           Time
        7595000    15190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45941e+03    1.84222e+04    1.25834e+04    1.10826e+03   -2.93891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49257e+03    1.03957e+05    2.80322e+05   -1.71764e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20407e+04   -1.73211e+06    3.49191e+05   -1.38292e+06   -1.32708e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13386e+02   -2.11674e+02    4.58718e+01    3.97303e-06

           Step           Time
        7600000    15200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81078e+03    1.80768e+04    1.26028e+04    1.06078e+03   -2.88214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42240e+03    1.03642e+05    2.78626e+05   -1.72152e+04   -2.14938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20694e+04   -1.73117e+06    3.49001e+05   -1.38217e+06   -1.32707e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13215e+02   -2.12630e+02   -3.58481e+01    4.01089e-06

           Step           Time
        7605000    15210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53985e+03    1.83908e+04    1.21580e+04    1.01752e+03   -2.81237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61640e+03    1.03821e+05    2.81634e+05   -1.71529e+04   -2.15163e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20248e+04   -1.73039e+06    3.48643e+05   -1.38175e+06   -1.32697e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12893e+02   -2.11095e+02    1.33151e+02    3.93971e-06

           Step           Time
        7610000    15220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61764e+03    1.79098e+04    1.26813e+04    1.06956e+03   -2.79773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53616e+03    1.04251e+05    2.78636e+05   -1.71707e+04   -2.14831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20114e+04   -1.72957e+06    3.47607e+05   -1.38196e+06   -1.32695e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11964e+02   -2.11534e+02   -2.69617e+01    3.91577e-06

           Step           Time
        7615000    15230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51412e+03    1.82981e+04    1.23048e+04    1.09969e+03   -2.66660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52582e+03    1.04025e+05    2.82835e+05   -1.72384e+04   -2.15301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20995e+04   -1.73021e+06    3.47836e+05   -1.38238e+06   -1.32689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12169e+02   -2.13202e+02    2.31726e+02    3.91776e-06

           Step           Time
        7620000    15240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37071e+03    1.82344e+04    1.22704e+04    1.01763e+03   -2.77805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49642e+03    1.04119e+05    2.81354e+05   -1.71963e+04   -2.15134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21836e+04   -1.73027e+06    3.47191e+05   -1.38308e+06   -1.32691e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11590e+02   -2.12164e+02    7.42130e+01    4.03811e-06

           Step           Time
        7625000    15250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47965e+03    1.81639e+04    1.24782e+04    1.03251e+03   -2.78311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41591e+03    1.03653e+05    2.80095e+05   -1.71452e+04   -2.15170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20314e+04   -1.73228e+06    3.48854e+05   -1.38343e+06   -1.32686e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13083e+02   -2.10907e+02   -5.73167e+01    3.95301e-06

           Step           Time
        7630000    15260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64106e+03    1.85155e+04    1.25049e+04    1.07985e+03   -2.70264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49186e+03    1.03561e+05    2.76862e+05   -1.71446e+04   -2.14568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21266e+04   -1.72874e+06    3.48599e+05   -1.38014e+06   -1.32681e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12854e+02   -2.10891e+02   -1.21206e+02    4.03096e-06

           Step           Time
        7635000    15270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59819e+03    1.86357e+04    1.22035e+04    1.06408e+03   -2.87292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58317e+03    1.03240e+05    2.80516e+05   -1.71591e+04   -2.15140e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19870e+04   -1.73160e+06    3.47815e+05   -1.38379e+06   -1.32678e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12150e+02   -2.11249e+02    3.41569e+01    4.15990e-06

           Step           Time
        7640000    15280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44942e+03    1.79370e+04    1.25295e+04    1.09476e+03   -2.76010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52213e+03    1.04236e+05    2.78307e+05   -1.71292e+04   -2.14764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21418e+04   -1.72931e+06    3.49135e+05   -1.38018e+06   -1.32675e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13335e+02   -2.10513e+02   -2.03880e+01    4.01452e-06

           Step           Time
        7645000    15290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54489e+03    1.81271e+04    1.24278e+04    1.12304e+03   -2.68441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49094e+03    1.03620e+05    2.79974e+05   -1.71622e+04   -2.15058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19731e+04   -1.73114e+06    3.48379e+05   -1.38276e+06   -1.32675e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12656e+02   -2.11325e+02   -1.93191e+01    3.87402e-06

           Step           Time
        7650000    15300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37837e+03    1.83124e+04    1.24406e+04    1.07558e+03   -2.95536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65730e+03    1.04365e+05    2.81031e+05   -1.71601e+04   -2.15078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20953e+04   -1.72954e+06    3.49585e+05   -1.37996e+06   -1.32670e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13739e+02   -2.11274e+02    1.19918e+02    3.91126e-06

           Step           Time
        7655000    15310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59704e+03    1.80808e+04    1.25304e+04    1.24133e+03   -2.87074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49038e+03    1.03980e+05    2.80477e+05   -1.71540e+04   -2.14928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20531e+04   -1.72885e+06    3.46304e+05   -1.38255e+06   -1.32670e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10794e+02   -2.11124e+02    4.71446e+01    3.89741e-06

           Step           Time
        7660000    15320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70776e+03    1.78101e+04    1.22633e+04    1.07219e+03   -2.79587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52314e+03    1.04113e+05    2.78222e+05   -1.71544e+04   -2.14846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21452e+04   -1.73055e+06    3.46798e+05   -1.38375e+06   -1.32666e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11238e+02   -2.11133e+02   -6.34703e+01    3.86256e-06

           Step           Time
        7665000    15330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81454e+03    1.82775e+04    1.23757e+04    1.05653e+03   -2.69273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40284e+03    1.03995e+05    2.76095e+05   -1.71513e+04   -2.14427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19356e+04   -1.72816e+06    3.48617e+05   -1.37954e+06   -1.32661e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12870e+02   -2.11057e+02   -1.36421e+02    3.89760e-06

           Step           Time
        7670000    15340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33681e+03    1.85547e+04    1.22525e+04    1.02473e+03   -2.76276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50790e+03    1.03976e+05    2.79670e+05   -1.71764e+04   -2.15015e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18992e+04   -1.73087e+06    3.50228e+05   -1.38064e+06   -1.32660e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14316e+02   -2.11673e+02   -1.04320e+01    4.27962e-06

           Step           Time
        7675000    15350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45832e+03    1.83767e+04    1.22965e+04    1.00962e+03   -2.82647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40554e+03    1.04056e+05    2.79268e+05   -1.71818e+04   -2.14925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22554e+04   -1.73013e+06    3.47626e+05   -1.38251e+06   -1.32655e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11980e+02   -2.11808e+02   -3.92428e+01    4.00834e-06

           Step           Time
        7680000    15360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34757e+03    1.84147e+04    1.24243e+04    1.05260e+03   -2.67948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65016e+03    1.03603e+05    2.78272e+05   -1.71243e+04   -2.14446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22507e+04   -1.72625e+06    3.48690e+05   -1.37756e+06   -1.32651e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12936e+02   -2.10394e+02    4.83214e+01    4.12433e-06

           Step           Time
        7685000    15370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48641e+03    1.84595e+04    1.25148e+04    1.05600e+03   -2.66919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60022e+03    1.03821e+05    2.78232e+05   -1.71790e+04   -2.14796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22006e+04   -1.72944e+06    3.48897e+05   -1.38054e+06   -1.32645e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13121e+02   -2.11739e+02   -1.70630e+01    3.97320e-06

           Step           Time
        7690000    15380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46639e+03    1.81567e+04    1.25113e+04    1.13527e+03   -2.80926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48811e+03    1.03750e+05    2.77095e+05   -1.71330e+04   -2.14504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20619e+04   -1.72832e+06    3.48335e+05   -1.37998e+06   -1.32645e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12617e+02   -2.10607e+02   -7.61086e+01    4.07703e-06

           Step           Time
        7695000    15390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66384e+03    1.84973e+04    1.23314e+04    1.12618e+03   -2.71657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44008e+03    1.04026e+05    2.78505e+05   -1.71752e+04   -2.14732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22622e+04   -1.72836e+06    3.49292e+05   -1.37906e+06   -1.32636e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13476e+02   -2.11643e+02   -5.30481e+01    3.92371e-06

           Step           Time
        7700000    15400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67377e+03    1.77464e+04    1.25688e+04    1.16541e+03   -2.79948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47444e+03    1.04314e+05    2.78346e+05   -1.71872e+04   -2.14766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21131e+04   -1.72925e+06    3.47278e+05   -1.38197e+06   -1.32637e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11669e+02   -2.11940e+02   -5.22259e+01    3.99464e-06

           Step           Time
        7705000    15410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65686e+03    1.84093e+04    1.25049e+04    1.13958e+03   -2.86339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55971e+03    1.03708e+05    2.81255e+05   -1.71615e+04   -2.15143e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20779e+04   -1.73014e+06    3.48272e+05   -1.38187e+06   -1.32631e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12560e+02   -2.11307e+02    9.99870e+01    4.11954e-06

           Step           Time
        7710000    15420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46481e+03    1.83249e+04    1.23359e+04    1.10928e+03   -2.77536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48866e+03    1.03866e+05    2.78692e+05   -1.71532e+04   -2.14720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20770e+04   -1.72877e+06    3.48686e+05   -1.38009e+06   -1.32630e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12932e+02   -2.11103e+02   -1.41726e+01    4.13218e-06

           Step           Time
        7715000    15430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56165e+03    1.80138e+04    1.22973e+04    1.07606e+03   -2.76520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47436e+03    1.03810e+05    2.79344e+05   -1.71341e+04   -2.14995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22974e+04   -1.73098e+06    3.48140e+05   -1.38284e+06   -1.32630e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12442e+02   -2.10635e+02   -3.51045e+01    3.89017e-06

           Step           Time
        7720000    15440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45719e+03    1.83529e+04    1.23338e+04    1.12815e+03   -2.82471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48693e+03    1.04437e+05    2.79754e+05   -1.72066e+04   -2.14931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19267e+04   -1.72946e+06    3.48383e+05   -1.38108e+06   -1.32621e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12661e+02   -2.12418e+02    1.47676e+02    4.01191e-06

           Step           Time
        7725000    15450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61762e+03    1.81020e+04    1.24526e+04    1.09523e+03   -2.72802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59808e+03    1.03596e+05    2.79357e+05   -1.71710e+04   -2.15028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23089e+04   -1.73105e+06    3.49905e+05   -1.38114e+06   -1.32619e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14026e+02   -2.11542e+02    2.82326e+01    4.00152e-06

           Step           Time
        7730000    15460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38921e+03    1.83373e+04    1.23248e+04    1.07384e+03   -2.73664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47621e+03    1.03857e+05    2.80561e+05   -1.72332e+04   -2.15364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21329e+04   -1.73345e+06    3.48798e+05   -1.38466e+06   -1.32618e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13032e+02   -2.13075e+02    9.36052e+01    4.00157e-06

           Step           Time
        7735000    15470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57020e+03    1.80907e+04    1.25391e+04    1.08063e+03   -2.74685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44794e+03    1.04358e+05    2.79534e+05   -1.71264e+04   -2.14908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23219e+04   -1.72901e+06    3.48327e+05   -1.38069e+06   -1.32610e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12610e+02   -2.10444e+02    1.49853e+01    4.22336e-06

           Step           Time
        7740000    15480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56952e+03    1.78887e+04    1.23376e+04    1.10384e+03   -2.78262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60892e+03    1.04290e+05    2.81338e+05   -1.71966e+04   -2.15299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20784e+04   -1.73175e+06    3.47720e+05   -1.38403e+06   -1.32610e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12065e+02   -2.12171e+02    1.71078e+02    3.94524e-06

           Step           Time
        7745000    15490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47593e+03    1.79808e+04    1.22939e+04    1.06637e+03   -2.83737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46077e+03    1.03840e+05    2.79879e+05   -1.71646e+04   -2.15008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21066e+04   -1.73097e+06    3.48528e+05   -1.38245e+06   -1.32614e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12790e+02   -2.11384e+02    3.24228e+01    4.08835e-06

           Step           Time
        7750000    15500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76866e+03    1.84482e+04    1.24343e+04    1.16913e+03   -2.83574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49674e+03    1.03933e+05    2.79192e+05   -1.71869e+04   -2.14862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20148e+04   -1.72918e+06    3.48670e+05   -1.38051e+06   -1.32604e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12917e+02   -2.11933e+02    4.72974e+00    3.92419e-06

           Step           Time
        7755000    15510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53308e+03    1.87181e+04    1.23684e+04    1.08682e+03   -2.82425e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56622e+03    1.03931e+05    2.77710e+05   -1.71984e+04   -2.14609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22055e+04   -1.72799e+06    3.47887e+05   -1.38010e+06   -1.32598e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12215e+02   -2.12217e+02    6.36422e+01    4.02474e-06

           Step           Time
        7760000    15520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48256e+03    1.85283e+04    1.23191e+04    1.08159e+03   -2.74884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55447e+03    1.04193e+05    2.78546e+05   -1.71228e+04   -2.14730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21723e+04   -1.72830e+06    3.50003e+05   -1.37829e+06   -1.32601e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14114e+02   -2.10356e+02    8.18040e+00    4.16101e-06

           Step           Time
        7765000    15530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52897e+03    1.78696e+04    1.22604e+04    1.03465e+03   -2.80921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63544e+03    1.04423e+05    2.80782e+05   -1.71915e+04   -2.15009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22220e+04   -1.72934e+06    3.48473e+05   -1.38086e+06   -1.32595e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12741e+02   -2.12046e+02    1.70399e+02    3.99364e-06

           Step           Time
        7770000    15540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57301e+03    1.82856e+04    1.24544e+04    1.09432e+03   -2.71102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52201e+03    1.03630e+05    2.80430e+05   -1.71389e+04   -2.15091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21162e+04   -1.73066e+06    3.48278e+05   -1.38238e+06   -1.32590e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12566e+02   -2.10751e+02   -3.26487e+00    3.99415e-06

           Step           Time
        7775000    15550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36273e+03    1.86204e+04    1.22627e+04    9.93529e+02   -2.74567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36885e+03    1.03978e+05    2.79949e+05   -1.71568e+04   -2.14968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22441e+04   -1.72981e+06    3.49528e+05   -1.38028e+06   -1.32591e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13688e+02   -2.11191e+02    5.80682e+00    4.05767e-06

           Step           Time
        7780000    15560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51118e+03    1.83634e+04    1.24667e+04    1.04669e+03   -2.74302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51665e+03    1.03949e+05    2.78694e+05   -1.71756e+04   -2.14902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21982e+04   -1.73020e+06    3.49364e+05   -1.38083e+06   -1.32585e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13541e+02   -2.11655e+02    6.06455e+00    4.14028e-06

           Step           Time
        7785000    15570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54598e+03    1.79739e+04    1.23342e+04    1.16370e+03   -2.76754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59688e+03    1.03712e+05    2.80687e+05   -1.71355e+04   -2.15171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22456e+04   -1.73136e+06    3.48022e+05   -1.38334e+06   -1.32579e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12336e+02   -2.10669e+02    2.00509e+01    4.02525e-06

           Step           Time
        7790000    15580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56524e+03    1.82448e+04    1.23483e+04    1.19384e+03   -2.80260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56870e+03    1.04222e+05    2.78965e+05   -1.71458e+04   -2.14731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22309e+04   -1.72792e+06    3.48563e+05   -1.37936e+06   -1.32577e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12822e+02   -2.10921e+02    2.45985e+01    3.90838e-06

           Step           Time
        7795000    15590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61433e+03    1.83161e+04    1.22703e+04    1.09072e+03   -2.81132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34276e+03    1.04016e+05    2.80601e+05   -1.71400e+04   -2.15038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20485e+04   -1.73003e+06    3.47956e+05   -1.38208e+06   -1.32575e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12277e+02   -2.10778e+02    1.16243e+01    4.20661e-06

           Step           Time
        7800000    15600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51140e+03    1.81907e+04    1.24795e+04    1.10688e+03   -2.78555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50264e+03    1.03794e+05    2.79277e+05   -1.71178e+04   -2.14837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21596e+04   -1.72925e+06    3.49804e+05   -1.37944e+06   -1.32573e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13936e+02   -2.10233e+02   -5.33147e+01    3.98220e-06

           Step           Time
        7805000    15610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65356e+03    1.82089e+04    1.23517e+04    1.14412e+03   -2.86821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41891e+03    1.03840e+05    2.79078e+05   -1.71392e+04   -2.14744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20704e+04   -1.72868e+06    3.49261e+05   -1.37942e+06   -1.32568e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13448e+02   -2.10760e+02   -3.47491e+01    4.08783e-06

           Step           Time
        7810000    15620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55995e+03    1.82739e+04    1.23983e+04    1.17255e+03   -2.71447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57369e+03    1.04204e+05    2.78504e+05   -1.71443e+04   -2.14894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19784e+04   -1.73013e+06    3.48597e+05   -1.38154e+06   -1.32562e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12852e+02   -2.10885e+02    1.17032e+01    3.98770e-06

           Step           Time
        7815000    15630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51738e+03    1.86185e+04    1.23390e+04    1.13815e+03   -2.87821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47110e+03    1.03528e+05    2.79501e+05   -1.71527e+04   -2.14758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22357e+04   -1.72826e+06    3.47707e+05   -1.38055e+06   -1.32562e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12053e+02   -2.11090e+02    5.87454e+01    4.01482e-06

           Step           Time
        7820000    15640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36014e+03    1.77952e+04    1.24830e+04    1.03305e+03   -2.67797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47257e+03    1.04062e+05    2.78937e+05   -1.72235e+04   -2.14990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18986e+04   -1.73176e+06    3.47212e+05   -1.38455e+06   -1.32558e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11610e+02   -2.12834e+02    1.30249e+01    4.10705e-06

           Step           Time
        7825000    15650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60908e+03    1.84774e+04    1.23947e+04    1.10460e+03   -2.74058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51760e+03    1.03420e+05    2.76941e+05   -1.72040e+04   -2.14438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22610e+04   -1.72760e+06    3.48174e+05   -1.37943e+06   -1.32550e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12473e+02   -2.12353e+02   -5.31463e+01    3.99674e-06

           Step           Time
        7830000    15660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83846e+03    1.84399e+04    1.24276e+04    1.12448e+03   -2.72522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51507e+03    1.03114e+05    2.78515e+05   -1.71494e+04   -2.14702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18614e+04   -1.72906e+06    3.49346e+05   -1.37971e+06   -1.32552e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13524e+02   -2.11009e+02   -8.93251e+01    3.97281e-06

           Step           Time
        7835000    15670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62695e+03    1.85342e+04    1.23701e+04    1.01792e+03   -2.76594e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53157e+03    1.03500e+05    2.80328e+05   -1.71513e+04   -2.15042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21844e+04   -1.73024e+06    3.48317e+05   -1.38193e+06   -1.32543e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12601e+02   -2.11057e+02    6.15016e+01    3.87492e-06

           Step           Time
        7840000    15680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54577e+03    1.86233e+04    1.23377e+04    1.05341e+03   -2.70319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51490e+03    1.03737e+05    2.79370e+05   -1.71615e+04   -2.14830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20318e+04   -1.72895e+06    3.49411e+05   -1.37954e+06   -1.32540e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13583e+02   -2.11308e+02    4.41884e+01    4.03526e-06

           Step           Time
        7845000    15690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87435e+03    1.80237e+04    1.23729e+04    1.12446e+03   -2.68608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39977e+03    1.03600e+05    2.78807e+05   -1.71518e+04   -2.14931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21002e+04   -1.73084e+06    3.47607e+05   -1.38324e+06   -1.32541e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11963e+02   -2.11069e+02   -1.11951e+02    3.83690e-06

           Step           Time
        7850000    15700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51252e+03    1.82120e+04    1.23279e+04    1.18952e+03   -2.72616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55639e+03    1.03600e+05    2.79477e+05   -1.71807e+04   -2.15228e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19770e+04   -1.73333e+06    3.47512e+05   -1.38582e+06   -1.32535e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11879e+02   -2.11779e+02   -5.54596e+01    4.07192e-06

           Step           Time
        7855000    15710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54380e+03    1.76483e+04    1.23615e+04    1.17793e+03   -2.74213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68465e+03    1.04218e+05    2.80912e+05   -1.71185e+04   -2.15008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21133e+04   -1.72928e+06    3.48173e+05   -1.38111e+06   -1.32532e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12472e+02   -2.10252e+02    9.77681e+01    4.19077e-06

           Step           Time
        7860000    15720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76238e+03    1.82440e+04    1.25129e+04    1.03962e+03   -2.76577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39702e+03    1.03681e+05    2.80212e+05   -1.72087e+04   -2.15162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21052e+04   -1.73164e+06    3.51331e+05   -1.38031e+06   -1.32528e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15306e+02   -2.12470e+02   -4.45372e+01    3.91052e-06

           Step           Time
        7865000    15730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60434e+03    1.78246e+04    1.23126e+04    1.09162e+03   -2.77174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48917e+03    1.03792e+05    2.79406e+05   -1.71789e+04   -2.14999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22088e+04   -1.73121e+06    3.47829e+05   -1.38338e+06   -1.32525e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12163e+02   -2.11736e+02   -4.78461e+01    4.10365e-06

           Step           Time
        7870000    15740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54504e+03    1.82744e+04    1.23749e+04    1.12454e+03   -2.77578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50895e+03    1.03616e+05    2.78195e+05   -1.71771e+04   -2.14698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20870e+04   -1.72921e+06    3.49404e+05   -1.37980e+06   -1.32522e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13577e+02   -2.11691e+02    3.04613e+01    3.91696e-06

           Step           Time
        7875000    15750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69668e+03    1.82348e+04    1.26939e+04    1.14303e+03   -2.91424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47787e+03    1.03433e+05    2.80622e+05   -1.71643e+04   -2.15119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20137e+04   -1.73095e+06    3.52017e+05   -1.37894e+06   -1.32516e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15922e+02   -2.11376e+02    3.78979e+01    4.06727e-06

           Step           Time
        7880000    15760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48604e+03    1.84762e+04    1.23788e+04    1.08107e+03   -2.84785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53548e+03    1.03622e+05    2.80667e+05   -1.71960e+04   -2.15180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21324e+04   -1.73147e+06    3.49699e+05   -1.38177e+06   -1.32510e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13841e+02   -2.12156e+02    3.96949e+01    4.04409e-06

           Step           Time
        7885000    15770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29558e+03    1.80250e+04    1.24190e+04    1.06269e+03   -2.83982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55883e+03    1.04021e+05    2.81341e+05   -1.71805e+04   -2.15282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20297e+04   -1.73209e+06    3.47312e+05   -1.38478e+06   -1.32510e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11699e+02   -2.11776e+02    9.80834e+01    3.89876e-06

           Step           Time
        7890000    15780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51608e+03    1.81752e+04    1.23375e+04    1.06045e+03   -2.79538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51505e+03    1.03480e+05    2.79156e+05   -1.71655e+04   -2.14744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21632e+04   -1.72900e+06    3.47929e+05   -1.38107e+06   -1.32508e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12253e+02   -2.11405e+02    8.72420e+00    4.08801e-06

           Step           Time
        7895000    15790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55815e+03    1.82529e+04    1.22651e+04    1.04250e+03   -2.65033e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46921e+03    1.03376e+05    2.80328e+05   -1.71806e+04   -2.15008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19948e+04   -1.73063e+06    3.48847e+05   -1.38178e+06   -1.32505e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13077e+02   -2.11777e+02    1.72868e+01    4.08346e-06

           Step           Time
        7900000    15800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30230e+03    1.84377e+04    1.21842e+04    1.08331e+03   -2.73770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66614e+03    1.03477e+05    2.77441e+05   -1.72180e+04   -2.14845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19601e+04   -1.73185e+06    3.47860e+05   -1.38399e+06   -1.32503e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12191e+02   -2.12699e+02   -5.32839e+00    4.10916e-06

           Step           Time
        7905000    15810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39348e+03    1.80859e+04    1.24535e+04    1.02303e+03   -2.76871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47540e+03    1.03796e+05    2.79013e+05   -1.71685e+04   -2.14881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21899e+04   -1.73031e+06    3.46851e+05   -1.38346e+06   -1.32499e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11285e+02   -2.11481e+02   -4.54054e+01    4.00916e-06

           Step           Time
        7910000    15820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49867e+03    1.86089e+04    1.23401e+04    1.07046e+03   -2.66150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58402e+03    1.04102e+05    2.79443e+05   -1.71579e+04   -2.14759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21976e+04   -1.72757e+06    3.48562e+05   -1.37901e+06   -1.32494e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12821e+02   -2.11219e+02    1.14733e+02    3.94504e-06

           Step           Time
        7915000    15830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51581e+03    1.82150e+04    1.23608e+04    1.08223e+03   -2.81517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57077e+03    1.04326e+05    2.79855e+05   -1.71173e+04   -2.14852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21821e+04   -1.72835e+06    3.50057e+05   -1.37829e+06   -1.32493e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14163e+02   -2.10221e+02    4.86939e+01    4.01614e-06

           Step           Time
        7920000    15840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47843e+03    1.86771e+04    1.24022e+04    1.07535e+03   -2.77259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55978e+03    1.03742e+05    2.81659e+05   -1.71689e+04   -2.15225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20028e+04   -1.73059e+06    3.48828e+05   -1.38176e+06   -1.32487e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13060e+02   -2.11490e+02    8.84310e+01    3.96482e-06

           Step           Time
        7925000    15850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61396e+03    1.82748e+04    1.24596e+04    1.12687e+03   -2.84675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49287e+03    1.04247e+05    2.80078e+05   -1.71619e+04   -2.14990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21527e+04   -1.72947e+06    3.48880e+05   -1.38059e+06   -1.32483e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13106e+02   -2.11317e+02    4.10476e+01    3.98213e-06

           Step           Time
        7930000    15860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35521e+03    1.85683e+04    1.23058e+04    1.04665e+03   -2.73773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54068e+03    1.04218e+05    2.80602e+05   -1.71743e+04   -2.15196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20479e+04   -1.73118e+06    3.48830e+05   -1.38235e+06   -1.32478e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13061e+02   -2.11623e+02    9.26675e+01    3.74171e-06

           Step           Time
        7935000    15870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68614e+03    1.85903e+04    1.22838e+04    1.17457e+03   -2.73073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46714e+03    1.04203e+05    2.79471e+05   -1.71520e+04   -2.14755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21411e+04   -1.72742e+06    3.49342e+05   -1.37807e+06   -1.32478e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13521e+02   -2.11074e+02   -3.18089e+00    4.02400e-06

           Step           Time
        7940000    15880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56471e+03    1.81119e+04    1.25119e+04    1.12879e+03   -2.78313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48249e+03    1.04406e+05    2.82168e+05   -1.71725e+04   -2.15303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19569e+04   -1.73065e+06    3.48378e+05   -1.38227e+06   -1.32475e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12655e+02   -2.11577e+02    8.01513e+01    4.07014e-06

           Step           Time
        7945000    15890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59108e+03    1.81546e+04    1.23671e+04    1.12676e+03   -2.79775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56278e+03    1.04482e+05    2.78346e+05   -1.71653e+04   -2.14661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20574e+04   -1.72789e+06    3.49189e+05   -1.37870e+06   -1.32469e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13383e+02   -2.11402e+02    2.16194e+01    3.91411e-06

           Step           Time
        7950000    15900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59161e+03    1.85969e+04    1.23723e+04    1.07392e+03   -2.84380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53032e+03    1.03622e+05    2.76543e+05   -1.71684e+04   -2.14422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22740e+04   -1.72763e+06    3.49366e+05   -1.37826e+06   -1.32470e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13542e+02   -2.11477e+02   -8.79720e+01    4.01057e-06

           Step           Time
        7955000    15910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58720e+03    1.87284e+04    1.23987e+04    1.11754e+03   -2.79642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48561e+03    1.03691e+05    2.76988e+05   -1.71559e+04   -2.14437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20701e+04   -1.72725e+06    3.49980e+05   -1.37727e+06   -1.32465e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14094e+02   -2.11169e+02   -3.31933e+01    4.16388e-06

           Step           Time
        7960000    15920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50409e+03    1.82972e+04    1.24910e+04    1.11925e+03   -2.79323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51817e+03    1.04117e+05    2.78740e+05   -1.71420e+04   -2.14757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22693e+04   -1.72845e+06    3.48391e+05   -1.38006e+06   -1.32457e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12667e+02   -2.10827e+02   -5.89477e+01    4.16207e-06

           Step           Time
        7965000    15930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40240e+03    1.82192e+04    1.22825e+04    1.05766e+03   -2.81511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53542e+03    1.04377e+05    2.80024e+05   -1.71843e+04   -2.15250e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19389e+04   -1.73266e+06    3.48727e+05   -1.38393e+06   -1.32456e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12969e+02   -2.11868e+02    5.01100e+01    3.86341e-06

           Step           Time
        7970000    15940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57265e+03    1.87101e+04    1.21276e+04    1.08398e+03   -2.72646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61159e+03    1.04521e+05    2.77906e+05   -1.71646e+04   -2.14868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20471e+04   -1.72999e+06    3.49225e+05   -1.38076e+06   -1.32451e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13416e+02   -2.11384e+02   -8.43347e+01    3.97325e-06

           Step           Time
        7975000    15950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57712e+03    1.82285e+04    1.22506e+04    1.12880e+03   -2.71728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41666e+03    1.04259e+05    2.76261e+05   -1.71191e+04   -2.14585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22795e+04   -1.72928e+06    3.48380e+05   -1.38090e+06   -1.32451e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12657e+02   -2.10266e+02   -1.46919e+02    4.19134e-06

           Step           Time
        7980000    15960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41248e+03    1.82893e+04    1.24866e+04    1.13516e+03   -2.78500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39848e+03    1.04360e+05    2.81409e+05   -1.71585e+04   -2.15297e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19715e+04   -1.73145e+06    3.50378e+05   -1.38107e+06   -1.32447e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14451e+02   -2.11234e+02    6.72310e+01    4.04275e-06

           Step           Time
        7985000    15970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78936e+03    1.81956e+04    1.24156e+04    1.02577e+03   -2.76407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41348e+03    1.04320e+05    2.80348e+05   -1.71645e+04   -2.15015e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20677e+04   -1.72950e+06    3.49668e+05   -1.37984e+06   -1.32443e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13814e+02   -2.11381e+02   -1.79323e+01    4.11325e-06

           Step           Time
        7990000    15980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51102e+03    1.79651e+04    1.25386e+04    1.08286e+03   -2.79761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47262e+03    1.04237e+05    2.78492e+05   -1.71693e+04   -2.14913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21567e+04   -1.73064e+06    3.48137e+05   -1.38251e+06   -1.32437e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12439e+02   -2.11499e+02   -5.03474e+01    4.10766e-06

           Step           Time
        7995000    15990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45863e+03    1.79441e+04    1.25832e+04    1.03985e+03   -2.75067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56966e+03    1.04892e+05    2.80579e+05   -1.71827e+04   -2.15128e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19411e+04   -1.73020e+06    3.47223e+05   -1.38298e+06   -1.32431e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11619e+02   -2.11830e+02    7.81347e+01    4.04859e-06

           Step           Time
        8000000    16000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79136e+03    1.85286e+04    1.23869e+04    1.01016e+03   -2.84908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40859e+03    1.03665e+05    2.78593e+05   -1.71559e+04   -2.14631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18485e+04   -1.72809e+06    3.50469e+05   -1.37762e+06   -1.32427e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14533e+02   -2.11170e+02   -4.26281e+01    3.95556e-06

           Step           Time
        8005000    16010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45566e+03    1.82373e+04    1.24162e+04    1.08036e+03   -2.79031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54255e+03    1.03767e+05    2.79608e+05   -1.71903e+04   -2.15062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20294e+04   -1.73146e+06    3.47919e+05   -1.38355e+06   -1.32425e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12244e+02   -2.12016e+02    2.76085e+01    4.00953e-06

           Step           Time
        8010000    16020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63295e+03    1.80407e+04    1.22819e+04    1.07910e+03   -2.75666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52242e+03    1.04291e+05    2.78028e+05   -1.71803e+04   -2.14891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21490e+04   -1.73082e+06    3.48722e+05   -1.38210e+06   -1.32422e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12965e+02   -2.11769e+02   -2.52288e+01    4.15788e-06

           Step           Time
        8015000    16030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54027e+03    1.83584e+04    1.25136e+04    1.08927e+03   -2.80957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47740e+03    1.04403e+05    2.77720e+05   -1.71517e+04   -2.14849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20363e+04   -1.73031e+06    3.48777e+05   -1.38154e+06   -1.32420e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13014e+02   -2.11066e+02   -8.88309e+01    4.01759e-06

           Step           Time
        8020000    16040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44365e+03    1.84633e+04    1.24658e+04    1.15152e+03   -2.78992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39709e+03    1.04023e+05    2.79106e+05   -1.71520e+04   -2.14734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23053e+04   -1.72792e+06    3.47474e+05   -1.38045e+06   -1.32411e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11844e+02   -2.11073e+02    1.49195e+01    4.02463e-06

           Step           Time
        8025000    16050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57546e+03    1.83411e+04    1.25271e+04    1.16535e+03   -2.86020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49388e+03    1.04216e+05    2.77013e+05   -1.71507e+04   -2.14638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20023e+04   -1.72905e+06    3.47633e+05   -1.38142e+06   -1.32413e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11987e+02   -2.11041e+02   -1.07185e+02    4.01083e-06

           Step           Time
        8030000    16060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72789e+03    1.84376e+04    1.23760e+04    1.06242e+03   -2.78925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37397e+03    1.04241e+05    2.80783e+05   -1.71514e+04   -2.14903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22717e+04   -1.72770e+06    3.47580e+05   -1.38012e+06   -1.32409e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11939e+02   -2.11059e+02    3.41442e+01    4.05343e-06

           Step           Time
        8035000    16070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47494e+03    1.84323e+04    1.23129e+04    1.00210e+03   -2.83225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54844e+03    1.03916e+05    2.80248e+05   -1.71603e+04   -2.15184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21574e+04   -1.73174e+06    3.46659e+05   -1.38508e+06   -1.32404e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11113e+02   -2.11278e+02    7.52493e+00    4.03302e-06

           Step           Time
        8040000    16080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63002e+03    1.85873e+04    1.24505e+04    1.06036e+03   -2.82865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47283e+03    1.03830e+05    2.79133e+05   -1.71065e+04   -2.14731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22100e+04   -1.72788e+06    3.47963e+05   -1.37991e+06   -1.32401e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12283e+02   -2.09957e+02   -1.71536e+01    3.93701e-06

           Step           Time
        8045000    16090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64407e+03    1.81804e+04    1.26342e+04    1.07612e+03   -2.74934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39735e+03    1.03972e+05    2.76708e+05   -1.71253e+04   -2.14763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21441e+04   -1.73075e+06    3.48851e+05   -1.38190e+06   -1.32398e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13080e+02   -2.10419e+02   -1.77499e+02    4.00003e-06

           Step           Time
        8050000    16100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26018e+03    1.83825e+04    1.24360e+04    1.13852e+03   -2.89621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54133e+03    1.04589e+05    2.77465e+05   -1.71090e+04   -2.14592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22703e+04   -1.72784e+06    3.49459e+05   -1.37838e+06   -1.32397e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13626e+02   -2.10018e+02   -7.73444e+01    3.99432e-06

           Step           Time
        8055000    16110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68830e+03    1.83933e+04    1.25586e+04    1.04633e+03   -2.79940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40054e+03    1.04130e+05    2.78581e+05   -1.71967e+04   -2.14861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22770e+04   -1.72953e+06    3.47618e+05   -1.38192e+06   -1.32389e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11973e+02   -2.12174e+02   -6.15146e+01    4.14154e-06

           Step           Time
        8060000    16120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53763e+03    1.85872e+04    1.23526e+04    1.12091e+03   -2.79183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54743e+03    1.04474e+05    2.78608e+05   -1.71494e+04   -2.14931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21104e+04   -1.72992e+06    3.49981e+05   -1.37994e+06   -1.32388e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14094e+02   -2.11010e+02   -1.25581e+01    3.98571e-06

           Step           Time
        8065000    16130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54123e+03    1.81454e+04    1.24202e+04    1.03593e+03   -2.72201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39752e+03    1.04099e+05    2.79232e+05   -1.71545e+04   -2.14854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19744e+04   -1.72957e+06    3.46764e+05   -1.38281e+06   -1.32389e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11207e+02   -2.11135e+02   -1.77937e+01    3.91520e-06

           Step           Time
        8070000    16140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66863e+03    1.87565e+04    1.24595e+04    1.07039e+03   -2.84859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42432e+03    1.04415e+05    2.78895e+05   -1.71725e+04   -2.14786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21844e+04   -1.72801e+06    3.49370e+05   -1.37864e+06   -1.32386e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13546e+02   -2.11578e+02    1.14751e+00    3.97349e-06

           Step           Time
        8075000    16150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59293e+03    1.81576e+04    1.23978e+04    1.08957e+03   -2.83923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47655e+03    1.04207e+05    2.78703e+05   -1.71551e+04   -2.14805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23587e+04   -1.72907e+06    3.49671e+05   -1.37939e+06   -1.32386e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13816e+02   -2.11150e+02    1.48495e+01    4.04302e-06

           Step           Time
        8080000    16160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51156e+03    1.85084e+04    1.22834e+04    1.05964e+03   -2.71532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57517e+03    1.04094e+05    2.80760e+05   -1.71626e+04   -2.14940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20903e+04   -1.72840e+06    3.49948e+05   -1.37845e+06   -1.32376e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14064e+02   -2.11335e+02    1.03622e+02    3.99390e-06

           Step           Time
        8085000    16170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62260e+03    1.85354e+04    1.26447e+04    1.05757e+03   -2.90527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47642e+03    1.03535e+05    2.79364e+05   -1.71833e+04   -2.14750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20258e+04   -1.72833e+06    3.48303e+05   -1.38002e+06   -1.32375e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12589e+02   -2.11843e+02    5.84745e+01    3.84943e-06

           Step           Time
        8090000    16180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34412e+03    1.80537e+04    1.23338e+04    1.15539e+03   -2.70863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50569e+03    1.04326e+05    2.78434e+05   -1.71555e+04   -2.14775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22042e+04   -1.72925e+06    3.49297e+05   -1.37996e+06   -1.32374e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13480e+02   -2.11160e+02   -3.20585e+01    4.08621e-06

           Step           Time
        8095000    16190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70687e+03    1.81356e+04    1.24203e+04    1.17600e+03   -2.67272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42683e+03    1.04360e+05    2.77243e+05   -1.72462e+04   -2.14719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19485e+04   -1.72969e+06    3.47501e+05   -1.38219e+06   -1.32365e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11869e+02   -2.13395e+02   -1.79319e+01    3.99482e-06

           Step           Time
        8100000    16200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50739e+03    1.81876e+04    1.21851e+04    1.04282e+03   -2.81334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50998e+03    1.04650e+05    2.81545e+05   -1.71869e+04   -2.15403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20208e+04   -1.73238e+06    3.50186e+05   -1.38219e+06   -1.32362e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14278e+02   -2.11932e+02    1.48658e+02    3.94190e-06

           Step           Time
        8105000    16210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45529e+03    1.84157e+04    1.21894e+04    1.12544e+03   -2.74424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58897e+03    1.03889e+05    2.78486e+05   -1.71389e+04   -2.14623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20551e+04   -1.72790e+06    3.47828e+05   -1.38008e+06   -1.32358e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12162e+02   -2.10752e+02    2.22394e+01    4.15790e-06

           Step           Time
        8110000    16220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63463e+03    1.83263e+04    1.23908e+04    1.12932e+03   -2.77712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41997e+03    1.04061e+05    2.78134e+05   -1.71305e+04   -2.14620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20524e+04   -1.72796e+06    3.47945e+05   -1.38001e+06   -1.32355e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12267e+02   -2.10546e+02   -6.13153e+01    4.00039e-06

           Step           Time
        8115000    16230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43625e+03    1.83810e+04    1.24433e+04    1.11883e+03   -2.79145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55016e+03    1.04039e+05    2.79500e+05   -1.71846e+04   -2.14892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20894e+04   -1.72934e+06    3.49822e+05   -1.37952e+06   -1.32358e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13952e+02   -2.11876e+02    1.05187e+02    4.00433e-06

           Step           Time
        8120000    16240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24678e+03    1.82980e+04    1.21502e+04    1.09356e+03   -2.79134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61325e+03    1.04039e+05    2.80216e+05   -1.71888e+04   -2.15256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21790e+04   -1.73270e+06    3.48624e+05   -1.38408e+06   -1.32353e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12877e+02   -2.11979e+02    3.21355e+01    3.93837e-06

           Step           Time
        8125000    16250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41488e+03    1.84574e+04    1.20913e+04    1.06390e+03   -2.68620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65274e+03    1.04131e+05    2.78683e+05   -1.71301e+04   -2.14820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21456e+04   -1.72937e+06    3.48382e+05   -1.38099e+06   -1.32344e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12659e+02   -2.10537e+02    1.64121e+01    3.94356e-06

           Step           Time
        8130000    16260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48156e+03    1.82123e+04    1.21450e+04    1.10458e+03   -2.80265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46631e+03    1.04027e+05    2.79255e+05   -1.71676e+04   -2.15055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20219e+04   -1.73181e+06    3.48260e+05   -1.38355e+06   -1.32344e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12550e+02   -2.11458e+02   -2.09122e+01    3.93070e-06

Writing checkpoint, step 8130700 at Thu Dec  7 07:42:56 2023


           Step           Time
        8135000    16270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54480e+03    1.82049e+04    1.24389e+04    1.06461e+03   -2.77492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50427e+03    1.04380e+05    2.79040e+05   -1.71424e+04   -2.14976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21622e+04   -1.73034e+06    3.49979e+05   -1.38036e+06   -1.32340e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14093e+02   -2.10838e+02   -1.26185e+01    3.99311e-06

           Step           Time
        8140000    16280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55395e+03    1.82583e+04    1.23698e+04    1.11091e+03   -2.81832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37806e+03    1.03608e+05    2.77175e+05   -1.72109e+04   -2.14728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21052e+04   -1.73075e+06    3.48151e+05   -1.38260e+06   -1.32335e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12452e+02   -2.12524e+02   -7.14992e+01    4.12447e-06

           Step           Time
        8145000    16290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70255e+03    1.84148e+04    1.24073e+04    1.18025e+03   -2.81153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45770e+03    1.03931e+05    2.79452e+05   -1.71756e+04   -2.14846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20744e+04   -1.72882e+06    3.49092e+05   -1.37973e+06   -1.32334e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13296e+02   -2.11654e+02   -9.01633e+00    3.98279e-06

           Step           Time
        8150000    16300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38221e+03    1.81628e+04    1.26152e+04    1.09055e+03   -2.76926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55902e+03    1.04114e+05    2.77844e+05   -1.72042e+04   -2.14858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21381e+04   -1.73064e+06    3.48655e+05   -1.38199e+06   -1.32330e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12904e+02   -2.12360e+02   -4.49981e+00    3.98848e-06

           Step           Time
        8155000    16310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63643e+03    1.87934e+04    1.22564e+04    1.07094e+03   -2.82696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58563e+03    1.04123e+05    2.74298e+05   -1.71344e+04   -2.14079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22334e+04   -1.72575e+06    3.48408e+05   -1.37734e+06   -1.32325e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12683e+02   -2.10642e+02   -1.51680e+02    3.96248e-06

           Step           Time
        8160000    16320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51042e+03    1.83048e+04    1.23067e+04    1.09864e+03   -2.84620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54111e+03    1.04139e+05    2.80632e+05   -1.71214e+04   -2.14924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20804e+04   -1.72859e+06    3.49275e+05   -1.37932e+06   -1.32326e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13461e+02   -2.10322e+02    6.73092e+01    3.99742e-06

           Step           Time
        8165000    16330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54948e+03    1.81666e+04    1.21487e+04    1.04279e+03   -2.68273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54045e+03    1.03728e+05    2.81028e+05   -1.71795e+04   -2.15181e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19541e+04   -1.73152e+06    3.50127e+05   -1.38139e+06   -1.32321e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14225e+02   -2.11749e+02    2.93804e+01    4.09047e-06

           Step           Time
        8170000    16340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48649e+03    1.83207e+04    1.24872e+04    1.01519e+03   -2.74558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43046e+03    1.03917e+05    2.81314e+05   -1.72037e+04   -2.15055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21040e+04   -1.72943e+06    3.47429e+05   -1.38200e+06   -1.32317e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11804e+02   -2.12347e+02    9.31020e+01    3.95028e-06

           Step           Time
        8175000    16350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44120e+03    1.82921e+04    1.22985e+04    1.09182e+03   -2.83120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54961e+03    1.04438e+05    2.76614e+05   -1.72078e+04   -2.14420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21694e+04   -1.72735e+06    3.48684e+05   -1.37866e+06   -1.32312e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12930e+02   -2.12447e+02   -3.27803e+01    4.00601e-06

           Step           Time
        8180000    16360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42566e+03    1.84178e+04    1.23150e+04    1.08083e+03   -2.85329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46009e+03    1.04268e+05    2.77969e+05   -1.71492e+04   -2.14814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22904e+04   -1.72991e+06    3.48584e+05   -1.38133e+06   -1.32308e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12841e+02   -2.11004e+02   -4.53038e+01    3.90296e-06

           Step           Time
        8185000    16370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48897e+03    1.82461e+04    1.23775e+04    1.12300e+03   -2.74196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71878e+03    1.04240e+05    2.81284e+05   -1.71932e+04   -2.15232e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21191e+04   -1.73066e+06    3.49985e+05   -1.38067e+06   -1.32302e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14098e+02   -2.12087e+02    1.29677e+02    3.88860e-06

           Step           Time
        8190000    16380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48705e+03    1.80049e+04    1.24002e+04    1.03792e+03   -2.69610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41975e+03    1.04213e+05    2.79814e+05   -1.71534e+04   -2.15065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21433e+04   -1.73098e+06    3.46890e+05   -1.38409e+06   -1.32300e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11320e+02   -2.11109e+02    3.48019e+00    3.91182e-06

           Step           Time
        8195000    16390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41258e+03    1.81505e+04    1.25202e+04    1.15010e+03   -2.80173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56153e+03    1.04234e+05    2.78953e+05   -1.71800e+04   -2.15165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21561e+04   -1.73250e+06    3.47910e+05   -1.38459e+06   -1.32299e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12236e+02   -2.11762e+02   -9.00836e+01    3.95954e-06

           Step           Time
        8200000    16400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39223e+03    1.83343e+04    1.24842e+04    1.17915e+03   -2.77775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51045e+03    1.03893e+05    2.81041e+05   -1.71395e+04   -2.15118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18692e+04   -1.73039e+06    3.49869e+05   -1.38052e+06   -1.32298e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13994e+02   -2.10767e+02    9.13733e+01    3.86503e-06

           Step           Time
        8205000    16410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35899e+03    1.84558e+04    1.24963e+04    1.14952e+03   -2.73829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45702e+03    1.03999e+05    2.82067e+05   -1.71624e+04   -2.15347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19208e+04   -1.73146e+06    3.48371e+05   -1.38309e+06   -1.32286e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12650e+02   -2.11329e+02    1.09578e+02    4.08662e-06

           Step           Time
        8210000    16420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58764e+03    1.83606e+04    1.24930e+04    1.02941e+03   -2.77397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49186e+03    1.04006e+05    2.79807e+05   -1.71717e+04   -2.14821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21703e+04   -1.72821e+06    3.49019e+05   -1.37919e+06   -1.32289e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13231e+02   -2.11558e+02    1.50040e+01    3.97889e-06

           Step           Time
        8215000    16430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49344e+03    1.78081e+04    1.25108e+04    1.05065e+03   -2.80880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59285e+03    1.04686e+05    2.78658e+05   -1.71831e+04   -2.14832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20053e+04   -1.72951e+06    3.49035e+05   -1.38048e+06   -1.32290e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13245e+02   -2.11840e+02    1.42552e+01    4.20884e-06

           Step           Time
        8220000    16440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46027e+03    1.83964e+04    1.23213e+04    1.00764e+03   -2.70775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55008e+03    1.04356e+05    2.76805e+05   -1.71257e+04   -2.14588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20634e+04   -1.72875e+06    3.49871e+05   -1.37888e+06   -1.32281e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13996e+02   -2.10429e+02   -1.11459e+02    3.90024e-06

           Step           Time
        8225000    16450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66729e+03    1.81118e+04    1.21396e+04    1.14975e+03   -2.72988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53383e+03    1.04326e+05    2.78484e+05   -1.71294e+04   -2.14869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24091e+04   -1.72973e+06    3.50253e+05   -1.37948e+06   -1.32271e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14339e+02   -2.10520e+02   -9.69364e+01    3.90267e-06

           Step           Time
        8230000    16460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65979e+03    1.82577e+04    1.23988e+04    1.09299e+03   -2.84265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44823e+03    1.03856e+05    2.80597e+05   -1.71364e+04   -2.15067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22128e+04   -1.73013e+06    3.47422e+05   -1.38271e+06   -1.32271e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11798e+02   -2.10690e+02   -8.66175e-01    4.03952e-06

           Step           Time
        8235000    16470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88707e+03    1.84752e+04    1.23383e+04    1.10527e+03   -2.90990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47256e+03    1.04087e+05    2.80080e+05   -1.71637e+04   -2.14861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21000e+04   -1.72814e+06    3.47046e+05   -1.38109e+06   -1.32264e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11460e+02   -2.11360e+02   -8.64627e+00    4.08939e-06

           Step           Time
        8240000    16480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52988e+03    1.83054e+04    1.23390e+04    1.02735e+03   -2.85839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50279e+03    1.04189e+05    2.79854e+05   -1.71830e+04   -2.15018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21878e+04   -1.73028e+06    3.46748e+05   -1.38353e+06   -1.32266e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11193e+02   -2.11837e+02    6.67622e+00    3.82312e-06

           Step           Time
        8245000    16490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91485e+03    1.87446e+04    1.26257e+04    1.00387e+03   -2.85806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45173e+03    1.03985e+05    2.79854e+05   -1.71326e+04   -2.14942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20396e+04   -1.72879e+06    3.50000e+05   -1.37879e+06   -1.32259e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14111e+02   -2.10598e+02   -1.92968e+01    3.90998e-06

           Step           Time
        8250000    16500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73259e+03    1.83935e+04    1.23931e+04    1.09183e+03   -2.92690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50894e+03    1.03892e+05    2.78872e+05   -1.71831e+04   -2.14759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23131e+04   -1.72850e+06    3.50753e+05   -1.37775e+06   -1.32257e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14787e+02   -2.11838e+02    3.29569e+01    3.94805e-06

           Step           Time
        8255000    16510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64308e+03    1.87077e+04    1.23836e+04    1.17000e+03   -2.77139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54856e+03    1.03875e+05    2.80876e+05   -1.71155e+04   -2.14928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21098e+04   -1.72785e+06    3.47022e+05   -1.38083e+06   -1.32250e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11439e+02   -2.10177e+02    5.52124e+01    3.93357e-06

           Step           Time
        8260000    16520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78601e+03    1.83396e+04    1.25151e+04    1.08986e+03   -2.91959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56429e+03    1.03906e+05    2.80088e+05   -1.71825e+04   -2.14853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21532e+04   -1.72819e+06    3.48015e+05   -1.38017e+06   -1.32249e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12330e+02   -2.11824e+02    1.04018e+02    3.84001e-06

           Step           Time
        8265000    16530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64003e+03    1.81686e+04    1.24436e+04    1.01735e+03   -2.84118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43838e+03    1.03834e+05    2.81312e+05   -1.71916e+04   -2.14978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19013e+04   -1.72905e+06    3.47083e+05   -1.38197e+06   -1.32250e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11494e+02   -2.12048e+02    8.53223e+01    3.89526e-06

           Step           Time
        8270000    16540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45617e+03    1.81076e+04    1.22430e+04    1.09267e+03   -2.77708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52240e+03    1.04571e+05    2.76167e+05   -1.71526e+04   -2.14518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21407e+04   -1.72881e+06    3.47695e+05   -1.38111e+06   -1.32244e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12043e+02   -2.11089e+02   -1.38109e+02    3.89152e-06

           Step           Time
        8275000    16550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.19681e+03    1.87337e+04    1.24564e+04    1.19784e+03   -2.87891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59438e+03    1.04356e+05    2.77968e+05   -1.71372e+04   -2.14737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21679e+04   -1.72872e+06    3.47973e+05   -1.38075e+06   -1.32241e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12292e+02   -2.10710e+02    1.81063e+01    3.96946e-06

           Step           Time
        8280000    16560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41380e+03    1.82607e+04    1.24503e+04    1.03723e+03   -2.86853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53284e+03    1.04251e+05    2.80450e+05   -1.71379e+04   -2.15004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20580e+04   -1.72960e+06    3.47865e+05   -1.38173e+06   -1.32238e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12195e+02   -2.10728e+02    2.81616e+01    3.94127e-06

           Step           Time
        8285000    16570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39539e+03    1.81242e+04    1.24678e+04    1.00717e+03   -2.84768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64607e+03    1.04158e+05    2.79439e+05   -1.71306e+04   -2.15025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22131e+04   -1.73078e+06    3.49413e+05   -1.38137e+06   -1.32229e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13585e+02   -2.10549e+02    1.27729e+01    3.97405e-06

           Step           Time
        8290000    16580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63240e+03    1.80389e+04    1.24342e+04    1.07870e+03   -2.81201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57063e+03    1.04185e+05    2.80970e+05   -1.71591e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20051e+04   -1.73227e+06    3.49841e+05   -1.38243e+06   -1.32233e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13969e+02   -2.11248e+02   -9.90073e+00    3.90997e-06

           Step           Time
        8295000    16590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72464e+03    1.84229e+04    1.22990e+04    1.12694e+03   -2.85272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46029e+03    1.04025e+05    2.79531e+05   -1.71489e+04   -2.14671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21214e+04   -1.72701e+06    3.47678e+05   -1.37933e+06   -1.32228e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12027e+02   -2.10998e+02    1.01519e+01    4.01704e-06

           Step           Time
        8300000    16600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40917e+03    1.82237e+04    1.23753e+04    1.10780e+03   -2.82053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51798e+03    1.04430e+05    2.80240e+05   -1.72007e+04   -2.15109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19520e+04   -1.73086e+06    3.49065e+05   -1.38179e+06   -1.32227e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13272e+02   -2.12274e+02    4.62901e+01    3.97605e-06

           Step           Time
        8305000    16610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64059e+03    1.81625e+04    1.24902e+04    1.06589e+03   -2.90851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52539e+03    1.03887e+05    2.79896e+05   -1.72121e+04   -2.15038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22972e+04   -1.73054e+06    3.49009e+05   -1.38153e+06   -1.32223e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13222e+02   -2.12553e+02    3.42045e+01    4.01564e-06

           Step           Time
        8310000    16620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77282e+03    1.84324e+04    1.23001e+04    1.05032e+03   -2.72412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38389e+03    1.04575e+05    2.78162e+05   -1.71557e+04   -2.14739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20712e+04   -1.72852e+06    3.47374e+05   -1.38115e+06   -1.32220e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11754e+02   -2.11165e+02   -5.63545e+01    4.00277e-06

           Step           Time
        8315000    16630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44597e+03    1.84938e+04    1.24082e+04    1.07832e+03   -2.84333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64436e+03    1.04688e+05    2.79591e+05   -1.71636e+04   -2.14893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21377e+04   -1.72845e+06    3.49812e+05   -1.37864e+06   -1.32216e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13943e+02   -2.11360e+02    1.13166e+01    3.95259e-06

           Step           Time
        8320000    16640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73457e+03    1.79544e+04    1.23921e+04    1.05008e+03   -2.80448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46916e+03    1.04360e+05    2.79229e+05   -1.71519e+04   -2.15093e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22613e+04   -1.73143e+06    3.47267e+05   -1.38417e+06   -1.32212e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11658e+02   -2.11072e+02   -2.60501e+01    3.87255e-06

           Step           Time
        8325000    16650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38370e+03    1.80955e+04    1.22987e+04    1.10259e+03   -2.71963e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50562e+03    1.04453e+05    2.79458e+05   -1.71728e+04   -2.15054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21525e+04   -1.73098e+06    3.48176e+05   -1.38281e+06   -1.32213e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12474e+02   -2.11584e+02   -3.35973e+01    4.06565e-06

           Step           Time
        8330000    16660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43605e+03    1.81701e+04    1.23398e+04    1.07631e+03   -2.80567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48369e+03    1.04503e+05    2.78760e+05   -1.71494e+04   -2.14833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20538e+04   -1.72946e+06    3.49127e+05   -1.38033e+06   -1.32207e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13328e+02   -2.11010e+02   -1.25810e+00    3.99000e-06

           Step           Time
        8335000    16670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67750e+03    1.80385e+04    1.22205e+04    1.07711e+03   -2.81824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60979e+03    1.04522e+05    2.77276e+05   -1.71185e+04   -2.14728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22353e+04   -1.72955e+06    3.47665e+05   -1.38189e+06   -1.32202e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12016e+02   -2.10252e+02   -7.44628e+01    3.85531e-06

           Step           Time
        8340000    16680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31331e+03    1.82218e+04    1.23419e+04    1.06682e+03   -2.79631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55675e+03    1.05014e+05    2.78111e+05   -1.71680e+04   -2.14888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21466e+04   -1.73008e+06    3.48640e+05   -1.38144e+06   -1.32203e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12891e+02   -2.11468e+02   -1.40083e+01    4.04415e-06

           Step           Time
        8345000    16690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53131e+03    1.82452e+04    1.25352e+04    1.00880e+03   -2.80139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56826e+03    1.04727e+05    2.78866e+05   -1.71369e+04   -2.14851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21518e+04   -1.72882e+06    3.49163e+05   -1.37966e+06   -1.32198e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13360e+02   -2.10704e+02   -1.22559e+01    3.83890e-06

           Step           Time
        8350000    16700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56961e+03    1.84114e+04    1.23921e+04    1.06262e+03   -2.83197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51391e+03    1.04143e+05    2.81149e+05   -1.71867e+04   -2.15169e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20971e+04   -1.73037e+06    3.49382e+05   -1.38098e+06   -1.32197e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13557e+02   -2.11927e+02    1.40543e+02    4.01794e-06

           Step           Time
        8355000    16710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47359e+03    1.81681e+04    1.25918e+04    1.06598e+03   -2.81574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54766e+03    1.04477e+05    2.82575e+05   -1.71812e+04   -2.15547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21378e+04   -1.73243e+06    3.48765e+05   -1.38367e+06   -1.32191e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13003e+02   -2.11792e+02    1.20418e+02    3.89591e-06

           Step           Time
        8360000    16720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52045e+03    1.82247e+04    1.22444e+04    1.07144e+03   -2.73515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41908e+03    1.04410e+05    2.82127e+05   -1.71384e+04   -2.15269e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21079e+04   -1.73044e+06    3.47887e+05   -1.38256e+06   -1.32194e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12215e+02   -2.10739e+02    1.14316e+02    3.90111e-06

           Step           Time
        8365000    16730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54217e+03    1.82164e+04    1.23389e+04    1.03345e+03   -2.70260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43752e+03    1.04733e+05    2.77330e+05   -1.71120e+04   -2.14601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22275e+04   -1.72796e+06    3.48068e+05   -1.37990e+06   -1.32189e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12377e+02   -2.10092e+02   -1.45617e+02    3.80018e-06

           Step           Time
        8370000    16740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41026e+03    1.83255e+04    1.23732e+04    1.02913e+03   -2.80077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58252e+03    1.04373e+05    2.80221e+05   -1.72043e+04   -2.15074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24086e+04   -1.73002e+06    3.47729e+05   -1.38229e+06   -1.32182e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12073e+02   -2.12361e+02    7.71118e+01    4.00513e-06

           Step           Time
        8375000    16750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81140e+03    1.82824e+04    1.23604e+04    1.10018e+03   -2.83838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47962e+03    1.04122e+05    2.77572e+05   -1.71385e+04   -2.14492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21679e+04   -1.72700e+06    3.48129e+05   -1.37887e+06   -1.32178e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12432e+02   -2.10743e+02   -8.34773e+01    4.07023e-06

           Step           Time
        8380000    16760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71667e+03    1.82771e+04    1.22760e+04    1.16434e+03   -2.87004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53305e+03    1.04707e+05    2.77988e+05   -1.71580e+04   -2.14873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21873e+04   -1.72991e+06    3.48880e+05   -1.38103e+06   -1.32180e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13106e+02   -2.11222e+02   -1.01891e+02    3.83477e-06

           Step           Time
        8385000    16770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71277e+03    1.81159e+04    1.23725e+04    1.03040e+03   -2.83217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56798e+03    1.04469e+05    2.80387e+05   -1.71820e+04   -2.14940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21530e+04   -1.72861e+06    3.49051e+05   -1.37956e+06   -1.32173e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13259e+02   -2.11811e+02    7.30132e+01    4.03140e-06

           Step           Time
        8390000    16780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64999e+03    1.81814e+04    1.22869e+04    1.07933e+03   -2.86122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46223e+03    1.04267e+05    2.78389e+05   -1.71692e+04   -2.15001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21158e+04   -1.73161e+06    3.48504e+05   -1.38310e+06   -1.32172e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12769e+02   -2.11497e+02   -1.58563e+02    3.87622e-06

           Step           Time
        8395000    16790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07001e+03    1.86586e+04    1.23571e+04    1.14695e+03   -2.66565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47865e+03    1.03511e+05    2.77157e+05   -1.71485e+04   -2.14284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.25065e+04   -1.72477e+06    3.48906e+05   -1.37586e+06   -1.32172e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13130e+02   -2.10988e+02   -1.00067e+02    4.05537e-06

           Step           Time
        8400000    16800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35090e+03    1.82605e+04    1.24705e+04    1.12335e+03   -2.79101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65540e+03    1.04063e+05    2.79492e+05   -1.71638e+04   -2.14740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20419e+04   -1.72790e+06    3.47866e+05   -1.38004e+06   -1.32169e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12196e+02   -2.11364e+02    9.74734e+01    3.92754e-06

           Step           Time
        8405000    16810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77452e+03    1.85573e+04    1.22689e+04    1.08812e+03   -2.69255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55758e+03    1.03682e+05    2.79416e+05   -1.71948e+04   -2.14891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23618e+04   -1.72909e+06    3.51355e+05   -1.37774e+06   -1.32167e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15327e+02   -2.12126e+02    5.64124e+01    4.30252e-06

           Step           Time
        8410000    16820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57726e+03    1.82876e+04    1.23997e+04    1.11326e+03   -2.75526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52002e+03    1.03830e+05    2.79242e+05   -1.71528e+04   -2.14880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22138e+04   -1.72952e+06    3.48217e+05   -1.38130e+06   -1.32158e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12511e+02   -2.11094e+02   -5.79501e+01    3.90469e-06

           Step           Time
        8415000    16830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47447e+03    1.82614e+04    1.26253e+04    1.06752e+03   -2.80378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52625e+03    1.04368e+05    2.80295e+05   -1.71655e+04   -2.15019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21692e+04   -1.72937e+06    3.48346e+05   -1.38102e+06   -1.32156e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12627e+02   -2.11407e+02    5.01250e+01    4.06754e-06

           Step           Time
        8420000    16840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38807e+03    1.82479e+04    1.24208e+04    1.12942e+03   -2.70207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53625e+03    1.03824e+05    2.77038e+05   -1.71852e+04   -2.14707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21305e+04   -1.73024e+06    3.49077e+05   -1.38117e+06   -1.32158e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13283e+02   -2.11890e+02   -1.67001e+01    3.89553e-06

           Step           Time
        8425000    16850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53467e+03    1.82528e+04    1.23359e+04    1.12591e+03   -2.83459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58582e+03    1.04520e+05    2.79982e+05   -1.72041e+04   -2.15158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21173e+04   -1.73117e+06    3.50203e+05   -1.38096e+06   -1.32147e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14294e+02   -2.12358e+02    2.27720e+01    3.93653e-06

           Step           Time
        8430000    16860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35589e+03    1.83821e+04    1.24367e+04    1.10753e+03   -2.77663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59352e+03    1.04369e+05    2.78517e+05   -1.71686e+04   -2.14755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21253e+04   -1.72860e+06    3.48858e+05   -1.37975e+06   -1.32147e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13086e+02   -2.11482e+02    1.89099e+01    3.91014e-06

           Step           Time
        8435000    16870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55252e+03    1.85672e+04    1.24211e+04    1.09483e+03   -2.90552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45644e+03    1.04361e+05    2.79104e+05   -1.71588e+04   -2.14850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21000e+04   -1.72891e+06    3.47938e+05   -1.38097e+06   -1.32140e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12260e+02   -2.11241e+02   -5.19082e+01    3.94026e-06

           Step           Time
        8440000    16880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60207e+03    1.84886e+04    1.23738e+04    1.10843e+03   -2.76533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49444e+03    1.03893e+05    2.78444e+05   -1.71750e+04   -2.14659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21651e+04   -1.72796e+06    3.48538e+05   -1.37942e+06   -1.32140e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12799e+02   -2.11640e+02    6.12159e+01    3.96864e-06

           Step           Time
        8445000    16890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33549e+03    1.83480e+04    1.25571e+04    1.11057e+03   -2.76973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45429e+03    1.04607e+05    2.79698e+05   -1.71559e+04   -2.15065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20737e+04   -1.73040e+06    3.47732e+05   -1.38266e+06   -1.32136e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12076e+02   -2.11169e+02    4.84069e+00    3.95241e-06

           Step           Time
        8450000    16900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60796e+03    1.81579e+04    1.22908e+04    1.14496e+03   -2.73521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47231e+03    1.03940e+05    2.78282e+05   -1.71364e+04   -2.14852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19450e+04   -1.73055e+06    3.47734e+05   -1.38281e+06   -1.32134e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12077e+02   -2.10690e+02   -1.16425e+02    3.90490e-06

           Step           Time
        8455000    16910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36922e+03    1.80059e+04    1.24108e+04    1.10693e+03   -2.76485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60145e+03    1.04550e+05    2.76899e+05   -1.71373e+04   -2.14901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21677e+04   -1.73180e+06    3.47717e+05   -1.38408e+06   -1.32132e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12062e+02   -2.10713e+02   -8.39486e+01    4.01254e-06

           Step           Time
        8460000    16920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43981e+03    1.82820e+04    1.23304e+04    1.07322e+03   -2.70292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47779e+03    1.04455e+05    2.76622e+05   -1.71436e+04   -2.14517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20074e+04   -1.72833e+06    3.48239e+05   -1.38009e+06   -1.32126e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12531e+02   -2.10867e+02   -1.29356e+02    4.01878e-06

           Step           Time
        8465000    16930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25230e+03    1.82933e+04    1.23740e+04    1.13350e+03   -2.68972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54841e+03    1.04402e+05    2.78693e+05   -1.71765e+04   -2.15010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20292e+04   -1.73124e+06    3.46426e+05   -1.38481e+06   -1.32121e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10904e+02   -2.11678e+02   -6.53805e+00    3.80233e-06

           Step           Time
        8470000    16940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59115e+03    1.82434e+04    1.23617e+04    1.06457e+03   -2.81566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58409e+03    1.04376e+05    2.77681e+05   -1.71219e+04   -2.14728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20262e+04   -1.72929e+06    3.48100e+05   -1.38119e+06   -1.32120e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12406e+02   -2.10334e+02   -1.10741e+02    3.86658e-06

           Step           Time
        8475000    16950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74098e+03    1.86723e+04    1.24664e+04    1.14740e+03   -2.87215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51618e+03    1.04211e+05    2.78128e+05   -1.71354e+04   -2.14378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21335e+04   -1.72477e+06    3.49279e+05   -1.37549e+06   -1.32114e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13464e+02   -2.10666e+02   -8.98906e+00    3.99004e-06

           Step           Time
        8480000    16960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58126e+03    1.83225e+04    1.24200e+04    1.17078e+03   -2.89924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40912e+03    1.04308e+05    2.80691e+05   -1.71489e+04   -2.15417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23197e+04   -1.73300e+06    3.48957e+05   -1.38404e+06   -1.32110e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13175e+02   -2.10998e+02   -3.13446e+01    3.92493e-06

           Step           Time
        8485000    16970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79121e+03    1.83586e+04    1.23291e+04    1.00750e+03   -2.86124e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54528e+03    1.04308e+05    2.77711e+05   -1.71531e+04   -2.14573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23564e+04   -1.72733e+06    3.49064e+05   -1.37827e+06   -1.32107e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13271e+02   -2.11101e+02   -3.36748e+01    4.21587e-06

           Step           Time
        8490000    16980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74199e+03    1.82043e+04    1.23242e+04    1.10220e+03   -2.83420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33789e+03    1.04167e+05    2.79035e+05   -1.71737e+04   -2.14963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23978e+04   -1.73032e+06    3.49094e+05   -1.38123e+06   -1.32104e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13298e+02   -2.11606e+02   -3.17639e+01    4.09030e-06

           Step           Time
        8495000    16990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45383e+03    1.81301e+04    1.24749e+04    1.15236e+03   -2.77705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71258e+03    1.03839e+05    2.79831e+05   -1.71511e+04   -2.15096e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22488e+04   -1.73104e+06    3.47229e+05   -1.38382e+06   -1.32095e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11624e+02   -2.11051e+02    2.15427e+01    3.87959e-06

           Step           Time
        8500000    17000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69241e+03    1.85120e+04    1.23178e+04    1.07197e+03   -2.74418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36703e+03    1.04294e+05    2.77734e+05   -1.71249e+04   -2.14654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20817e+04   -1.72834e+06    3.51286e+05   -1.37706e+06   -1.32098e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15266e+02   -2.10407e+02   -6.64552e+01    4.02726e-06

           Step           Time
        8505000    17010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57546e+03    1.83484e+04    1.22426e+04    1.12338e+03   -2.73927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49235e+03    1.03880e+05    2.77289e+05   -1.71416e+04   -2.14679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20267e+04   -1.72970e+06    3.48993e+05   -1.38070e+06   -1.32089e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13208e+02   -2.10819e+02   -1.22516e+02    4.01235e-06

           Step           Time
        8510000    17020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65964e+03    1.81469e+04    1.22399e+04    1.08550e+03   -2.73815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60076e+03    1.04058e+05    2.77537e+05   -1.71580e+04   -2.14698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23647e+04   -1.72919e+06    3.49055e+05   -1.38013e+06   -1.32090e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13263e+02   -2.11222e+02   -5.19070e+01    4.03392e-06

           Step           Time
        8515000    17030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41376e+03    1.83658e+04    1.23020e+04    1.15822e+03   -2.75710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59361e+03    1.04287e+05    2.79712e+05   -1.71745e+04   -2.14871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20586e+04   -1.72875e+06    3.47755e+05   -1.38099e+06   -1.32082e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12097e+02   -2.11627e+02    1.03845e+02    3.93588e-06

           Step           Time
        8520000    17040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68793e+03    1.81350e+04    1.24008e+04    1.07083e+03   -2.77683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53421e+03    1.04632e+05    2.80036e+05   -1.71670e+04   -2.15034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21329e+04   -1.72966e+06    3.50257e+05   -1.37940e+06   -1.32078e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14342e+02   -2.11444e+02    7.50922e+01    4.04091e-06

           Step           Time
        8525000    17050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51691e+03    1.77007e+04    1.23551e+04    1.14067e+03   -2.84848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44765e+03    1.04422e+05    2.78486e+05   -1.71520e+04   -2.14957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21952e+04   -1.73130e+06    3.48071e+05   -1.38323e+06   -1.32078e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12380e+02   -2.11075e+02   -1.14312e+02    3.97442e-06

           Step           Time
        8530000    17060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55789e+03    1.83499e+04    1.21564e+04    9.61055e+02   -2.67442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63680e+03    1.03701e+05    2.81711e+05   -1.71540e+04   -2.15048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20430e+04   -1.72919e+06    3.49037e+05   -1.38015e+06   -1.32067e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13247e+02   -2.11124e+02    1.31664e+02    3.98654e-06

           Step           Time
        8535000    17070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93779e+03    1.82624e+04    1.23405e+04    1.01952e+03   -2.77209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43935e+03    1.03968e+05    2.78137e+05   -1.71977e+04   -2.14846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21758e+04   -1.73015e+06    3.49499e+05   -1.38065e+06   -1.32067e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13662e+02   -2.12198e+02   -3.57329e+01    3.99323e-06

           Step           Time
        8540000    17080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61091e+03    1.84183e+04    1.25230e+04    1.04842e+03   -2.78473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52319e+03    1.03722e+05    2.79017e+05   -1.71700e+04   -2.14803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20713e+04   -1.72905e+06    3.50151e+05   -1.37890e+06   -1.32064e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14247e+02   -2.11516e+02    5.54488e+01    4.09661e-06

           Step           Time
        8545000    17090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43272e+03    1.83946e+04    1.22969e+04    1.10574e+03   -2.90530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48881e+03    1.04051e+05    2.79925e+05   -1.71681e+04   -2.15122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21346e+04   -1.73147e+06    3.48360e+05   -1.38311e+06   -1.32060e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12639e+02   -2.11469e+02   -4.48050e+00    3.92084e-06

           Step           Time
        8550000    17100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40028e+03    1.80769e+04    1.23433e+04    1.13594e+03   -2.84460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54484e+03    1.03747e+05    2.79491e+05   -1.71627e+04   -2.15082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20674e+04   -1.73202e+06    3.49264e+05   -1.38275e+06   -1.32055e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13451e+02   -2.11336e+02    2.04995e+01    3.93625e-06

           Step           Time
        8555000    17110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69332e+03    1.82247e+04    1.23659e+04    1.06011e+03   -2.65357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35808e+03    1.03836e+05    2.80072e+05   -1.71898e+04   -2.14977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23248e+04   -1.72968e+06    3.50421e+05   -1.37926e+06   -1.32055e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14489e+02   -2.12003e+02    2.79476e+01    3.95081e-06

           Step           Time
        8560000    17120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44435e+03    1.86586e+04    1.21783e+04    1.09752e+03   -2.69840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49956e+03    1.03659e+05    2.79227e+05   -1.71428e+04   -2.14772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22491e+04   -1.72855e+06    3.47946e+05   -1.38061e+06   -1.32045e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12268e+02   -2.10849e+02    1.86896e+01    3.83057e-06

           Step           Time
        8565000    17130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60605e+03    1.84838e+04    1.22805e+04    1.04769e+03   -2.80274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42008e+03    1.03824e+05    2.81722e+05   -1.71752e+04   -2.15244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23199e+04   -1.73071e+06    3.50119e+05   -1.38059e+06   -1.32047e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14219e+02   -2.11644e+02    3.35336e+01    3.75500e-06

           Step           Time
        8570000    17140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52027e+03    1.85038e+04    1.25136e+04    1.07580e+03   -2.77212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54451e+03    1.03733e+05    2.81604e+05   -1.71742e+04   -2.15019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21909e+04   -1.72845e+06    3.51122e+05   -1.37733e+06   -1.32043e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15119e+02   -2.11620e+02    1.25133e+02    3.91677e-06

           Step           Time
        8575000    17150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68150e+03    1.83714e+04    1.22934e+04    1.03976e+03   -2.79798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49500e+03    1.04344e+05    2.76319e+05   -1.71525e+04   -2.14506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20748e+04   -1.72839e+06    3.49133e+05   -1.37926e+06   -1.32040e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13334e+02   -2.11087e+02   -5.84807e+01    3.85769e-06

           Step           Time
        8580000    17160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31820e+03    1.84293e+04    1.23858e+04    1.02118e+03   -2.67950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50308e+03    1.03978e+05    2.82098e+05   -1.71712e+04   -2.15288e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20794e+04   -1.73091e+06    3.50224e+05   -1.38069e+06   -1.32041e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14313e+02   -2.11547e+02    1.31073e+02    3.94011e-06

           Step           Time
        8585000    17170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59522e+03    1.81953e+04    1.25329e+04    1.19022e+03   -2.79526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61887e+03    1.04078e+05    2.76825e+05   -1.71354e+04   -2.14724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21328e+04   -1.73000e+06    3.47107e+05   -1.38289e+06   -1.32032e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11515e+02   -2.10666e+02   -8.65355e+01    4.01045e-06

           Step           Time
        8590000    17180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61495e+03    1.80871e+04    1.21976e+04    1.11276e+03   -2.78858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48728e+03    1.04357e+05    2.79363e+05   -1.71532e+04   -2.15029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20710e+04   -1.73094e+06    3.48697e+05   -1.38225e+06   -1.32027e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12942e+02   -2.11104e+02   -2.46677e+01    3.87283e-06

           Step           Time
        8595000    17190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72953e+03    1.80653e+04    1.23713e+04    1.01341e+03   -2.75477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53318e+03    1.04637e+05    2.78921e+05   -1.72096e+04   -2.14983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20836e+04   -1.73044e+06    3.50858e+05   -1.37959e+06   -1.32023e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14881e+02   -2.12492e+02    4.15746e+01    4.03345e-06

           Step           Time
        8600000    17200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76778e+03    1.84545e+04    1.24169e+04    1.09990e+03   -2.78916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38936e+03    1.03723e+05    2.77604e+05   -1.71268e+04   -2.14464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23198e+04   -1.72678e+06    3.50511e+05   -1.37627e+06   -1.32019e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14570e+02   -2.10455e+02   -5.47713e+01    3.86750e-06

           Step           Time
        8605000    17210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33308e+03    1.81576e+04    1.22347e+04    1.10471e+03   -2.80682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42220e+03    1.03655e+05    2.78376e+05   -1.71676e+04   -2.14972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20851e+04   -1.73233e+06    3.48979e+05   -1.38335e+06   -1.32018e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13195e+02   -2.11457e+02   -4.03530e+01    3.93429e-06

           Step           Time
        8610000    17220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46700e+03    1.81505e+04    1.23057e+04    1.09119e+03   -2.82570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49606e+03    1.03947e+05    2.78019e+05   -1.71533e+04   -2.14876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22023e+04   -1.73106e+06    3.46834e+05   -1.38423e+06   -1.32013e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11270e+02   -2.11105e+02   -7.74372e+01    3.84842e-06

           Step           Time
        8615000    17230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48257e+03    1.80725e+04    1.25281e+04    1.01077e+03   -2.89860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56037e+03    1.04275e+05    2.79906e+05   -1.71406e+04   -2.15117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21875e+04   -1.73118e+06    3.48189e+05   -1.38299e+06   -1.32008e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12486e+02   -2.10794e+02    1.80186e+01    3.91734e-06

           Step           Time
        8620000    17240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43418e+03    1.83115e+04    1.22197e+04    1.09203e+03   -2.76934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67001e+03    1.03899e+05    2.77495e+05   -1.71483e+04   -2.14668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18670e+04   -1.72961e+06    3.49401e+05   -1.38021e+06   -1.32008e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13573e+02   -2.10982e+02   -5.52513e+01    3.99393e-06

           Step           Time
        8625000    17250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55923e+03    1.79889e+04    1.24286e+04    1.14170e+03   -2.75899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62032e+03    1.04210e+05    2.77396e+05   -1.71745e+04   -2.14664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23841e+04   -1.72885e+06    3.48981e+05   -1.37987e+06   -1.32000e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13197e+02   -2.11628e+02   -6.38631e+01    3.98448e-06

           Step           Time
        8630000    17260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51749e+03    1.84453e+04    1.23723e+04    1.08766e+03   -2.81647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58779e+03    1.04776e+05    2.78974e+05   -1.71642e+04   -2.14919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22924e+04   -1.72912e+06    3.49385e+05   -1.37973e+06   -1.31993e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13559e+02   -2.11375e+02   -4.19569e+01    3.85827e-06

           Step           Time
        8635000    17270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37623e+03    1.79290e+04    1.23511e+04    1.04155e+03   -2.74765e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54944e+03    1.04130e+05    2.79041e+05   -1.71866e+04   -2.14994e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22696e+04   -1.73119e+06    3.47869e+05   -1.38332e+06   -1.31995e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12199e+02   -2.11925e+02    2.39615e+01    4.10623e-06

           Step           Time
        8640000    17280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62461e+03    1.82620e+04    1.26151e+04    1.03024e+03   -2.89668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54915e+03    1.04241e+05    2.79411e+05   -1.71591e+04   -2.15117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21764e+04   -1.73131e+06    3.48018e+05   -1.38329e+06   -1.31986e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12332e+02   -2.11249e+02    1.46806e+01    3.85784e-06

           Step           Time
        8645000    17290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77679e+03    1.81056e+04    1.24033e+04    1.07902e+03   -2.87799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49119e+03    1.04106e+05    2.81221e+05   -1.71636e+04   -2.15125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21876e+04   -1.72992e+06    3.49997e+05   -1.37993e+06   -1.31985e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14109e+02   -2.11359e+02    1.63216e+01    3.99084e-06

           Step           Time
        8650000    17300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56173e+03    1.83045e+04    1.23312e+04    1.03282e+03   -2.68435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37589e+03    1.04293e+05    2.80622e+05   -1.71936e+04   -2.15185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19594e+04   -1.73125e+06    3.49097e+05   -1.38215e+06   -1.31979e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13301e+02   -2.12098e+02    4.42855e+01    4.08942e-06

           Step           Time
        8655000    17310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62075e+03    1.86142e+04    1.22963e+04    1.09665e+03   -2.82542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57163e+03    1.04139e+05    2.77520e+05   -1.71557e+04   -2.14809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20849e+04   -1.73013e+06    3.50678e+05   -1.37945e+06   -1.31975e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14719e+02   -2.11164e+02   -3.29216e+01    3.60257e-06

           Step           Time
        8660000    17320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50487e+03    1.77641e+04    1.23248e+04    1.13491e+03   -2.84488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61460e+03    1.04393e+05    2.79165e+05   -1.71543e+04   -2.14964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22554e+04   -1.73049e+06    3.47894e+05   -1.38259e+06   -1.31972e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12221e+02   -2.11131e+02    6.92105e+01    3.79815e-06

           Step           Time
        8665000    17330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60107e+03    1.82799e+04    1.23426e+04    1.15139e+03   -2.79542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51299e+03    1.03998e+05    2.80359e+05   -1.71250e+04   -2.15150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22301e+04   -1.73094e+06    3.48425e+05   -1.38252e+06   -1.31967e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12698e+02   -2.10411e+02   -2.10118e+01    3.93001e-06

           Step           Time
        8670000    17340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52510e+03    1.86431e+04    1.25047e+04    1.07211e+03   -2.84458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44123e+03    1.03977e+05    2.79436e+05   -1.71403e+04   -2.14998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20797e+04   -1.73029e+06    3.48858e+05   -1.38143e+06   -1.31961e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13087e+02   -2.10786e+02   -3.01815e+01    3.85251e-06

           Step           Time
        8675000    17350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59908e+03    1.80491e+04    1.24324e+04    1.09847e+03   -2.76501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44513e+03    1.03810e+05    2.79415e+05   -1.71615e+04   -2.15074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18214e+04   -1.73199e+06    3.48417e+05   -1.38357e+06   -1.31957e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12691e+02   -2.11306e+02   -3.19080e+01    3.92627e-06

           Step           Time
        8680000    17360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57665e+03    1.79592e+04    1.25685e+04    1.18359e+03   -2.78218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65433e+03    1.04092e+05    2.79990e+05   -1.71851e+04   -2.15098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22445e+04   -1.73068e+06    3.47855e+05   -1.38283e+06   -1.31955e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12186e+02   -2.11888e+02    9.70413e+01    3.84577e-06

           Step           Time
        8685000    17370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52065e+03    1.82599e+04    1.24010e+04    1.00871e+03   -2.92072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67370e+03    1.03880e+05    2.79745e+05   -1.71487e+04   -2.15105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19981e+04   -1.73163e+06    3.48233e+05   -1.38340e+06   -1.31950e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12526e+02   -2.10992e+02    8.10992e+01    3.96600e-06

           Step           Time
        8690000    17380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70783e+03    1.77931e+04    1.24402e+04    1.18804e+03   -2.78920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58251e+03    1.04021e+05    2.80616e+05   -1.71910e+04   -2.15220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18637e+04   -1.73197e+06    3.48826e+05   -1.38315e+06   -1.31947e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13058e+02   -2.12034e+02    2.05417e+01    3.83115e-06

           Step           Time
        8695000    17390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50519e+03    1.81706e+04    1.23564e+04    1.16837e+03   -2.94696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48020e+03    1.04190e+05    2.80182e+05   -1.71865e+04   -2.15039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20537e+04   -1.73041e+06    3.48101e+05   -1.38231e+06   -1.31941e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12407e+02   -2.11923e+02    7.42063e+00    3.77889e-06

           Step           Time
        8700000    17400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56979e+03    1.82608e+04    1.21220e+04    1.07113e+03   -2.76521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43274e+03    1.04137e+05    2.79115e+05   -1.71879e+04   -2.14851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19211e+04   -1.72983e+06    3.49138e+05   -1.38069e+06   -1.31941e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13338e+02   -2.11957e+02    9.72406e+00    4.00844e-06

           Step           Time
        8705000    17410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31184e+03    1.82435e+04    1.24534e+04    1.02400e+03   -2.73224e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51851e+03    1.04468e+05    2.82791e+05   -1.71479e+04   -2.15513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22431e+04   -1.73195e+06    3.47281e+05   -1.38467e+06   -1.31936e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11671e+02   -2.10973e+02    8.41029e+01    3.80743e-06

           Step           Time
        8710000    17420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38644e+03    1.79264e+04    1.24854e+04    1.07011e+03   -2.81625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59381e+03    1.04640e+05    2.78587e+05   -1.71581e+04   -2.14925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20607e+04   -1.73047e+06    3.48341e+05   -1.38213e+06   -1.31936e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12623e+02   -2.11225e+02   -1.42548e+01    4.00397e-06

           Step           Time
        8715000    17430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63422e+03    1.86630e+04    1.24713e+04    1.11074e+03   -2.88373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52751e+03    1.03721e+05    2.77625e+05   -1.71693e+04   -2.14719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22991e+04   -1.72919e+06    3.50377e+05   -1.37881e+06   -1.31928e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14450e+02   -2.11499e+02   -3.88461e+01    4.04207e-06

           Step           Time
        8720000    17440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77500e+03    1.84614e+04    1.23932e+04    1.06977e+03   -2.86589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56178e+03    1.04123e+05    2.80712e+05   -1.71708e+04   -2.14923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20262e+04   -1.72815e+06    3.49754e+05   -1.37839e+06   -1.31922e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13891e+02   -2.11537e+02    1.26616e+02    3.96253e-06

           Step           Time
        8725000    17450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50930e+03    1.81752e+04    1.23506e+04    1.02964e+03   -2.83602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59532e+03    1.04047e+05    2.79686e+05   -1.71989e+04   -2.15008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21104e+04   -1.73061e+06    3.48324e+05   -1.38229e+06   -1.31920e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12607e+02   -2.12228e+02    8.54912e+01    4.03389e-06

           Step           Time
        8730000    17460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69170e+03    1.82909e+04    1.24189e+04    1.10125e+03   -2.90006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39892e+03    1.04126e+05    2.80462e+05   -1.71520e+04   -2.15009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23631e+04   -1.72929e+06    3.47760e+05   -1.38153e+06   -1.31914e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12101e+02   -2.11075e+02    1.67577e+01    3.97437e-06

           Step           Time
        8735000    17470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47923e+03    1.82298e+04    1.24273e+04    9.99386e+02   -2.89087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35213e+03    1.04319e+05    2.80411e+05   -1.71551e+04   -2.15098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20807e+04   -1.73073e+06    3.46957e+05   -1.38377e+06   -1.31916e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11380e+02   -2.11151e+02    1.91811e+01    3.92351e-06

           Step           Time
        8740000    17480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48274e+03    1.82510e+04    1.22221e+04    1.13025e+03   -2.84068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54146e+03    1.04303e+05    2.78493e+05   -1.71565e+04   -2.14888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20909e+04   -1.73037e+06    3.48246e+05   -1.38212e+06   -1.31911e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12538e+02   -2.11183e+02   -6.40238e+01    3.92542e-06

           Step           Time
        8745000    17490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42919e+03    1.83184e+04    1.23557e+04    1.16909e+03   -2.84798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56767e+03    1.04335e+05    2.78613e+05   -1.71857e+04   -2.14918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21548e+04   -1.73027e+06    3.49725e+05   -1.38055e+06   -1.31909e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13864e+02   -2.11903e+02   -1.60409e+01    3.92543e-06

           Step           Time
        8750000    17500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46530e+03    1.78046e+04    1.23412e+04    1.20887e+03   -2.89628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52068e+03    1.04300e+05    2.77955e+05   -1.71957e+04   -2.14900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20691e+04   -1.73143e+06    3.48021e+05   -1.38341e+06   -1.31905e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12335e+02   -2.12149e+02   -6.04725e+01    4.08001e-06

           Step           Time
        8755000    17510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96755e+03    1.81122e+04    1.25220e+04    1.10291e+03   -2.81245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55516e+03    1.03805e+05    2.80218e+05   -1.71543e+04   -2.15050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20477e+04   -1.73013e+06    3.50110e+05   -1.38002e+06   -1.31898e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14210e+02   -2.11131e+02    1.02494e+01    3.91708e-06

           Step           Time
        8760000    17520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68339e+03    1.82661e+04    1.23525e+04    1.04451e+03   -2.78260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51919e+03    1.04132e+05    2.78343e+05   -1.71443e+04   -2.14754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20365e+04   -1.72909e+06    3.49618e+05   -1.37948e+06   -1.31895e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13769e+02   -2.10884e+02   -5.66695e+01    4.00217e-06

           Step           Time
        8765000    17530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34671e+03    1.82662e+04    1.23702e+04    1.16630e+03   -2.72086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63108e+03    1.04181e+05    2.81314e+05   -1.71922e+04   -2.15388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20031e+04   -1.73251e+06    3.48206e+05   -1.38431e+06   -1.31890e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12501e+02   -2.12062e+02    9.14259e+01    4.00218e-06

           Step           Time
        8770000    17540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51424e+03    1.81768e+04    1.22917e+04    1.09785e+03   -2.76261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63434e+03    1.04685e+05    2.75884e+05   -1.72041e+04   -2.14526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20816e+04   -1.72886e+06    3.47558e+05   -1.38130e+06   -1.31885e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11920e+02   -2.12357e+02   -3.39599e+01    3.95085e-06

           Step           Time
        8775000    17550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53442e+03    1.82930e+04    1.23819e+04    1.11272e+03   -2.81509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43838e+03    1.03968e+05    2.77627e+05   -1.71606e+04   -2.14889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22293e+04   -1.73128e+06    3.47613e+05   -1.38367e+06   -1.31886e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11969e+02   -2.11284e+02   -1.22134e+02    3.96299e-06

           Step           Time
        8780000    17560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72173e+03    1.83823e+04    1.21365e+04    1.08629e+03   -2.84501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57346e+03    1.04013e+05    2.78649e+05   -1.72114e+04   -2.14916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21451e+04   -1.73050e+06    3.48408e+05   -1.38210e+06   -1.31883e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12683e+02   -2.12536e+02    1.14472e+01    4.06740e-06

           Step           Time
        8785000    17570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76333e+03    1.85920e+04    1.23113e+04    1.06659e+03   -2.70343e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45794e+03    1.03927e+05    2.76021e+05   -1.71624e+04   -2.14411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21241e+04   -1.72771e+06    3.50291e+05   -1.37742e+06   -1.31877e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14373e+02   -2.11328e+02   -1.19987e+02    4.08599e-06

           Step           Time
        8790000    17580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41582e+03    1.81102e+04    1.23694e+04    1.09800e+03   -2.78171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60096e+03    1.04145e+05    2.78834e+05   -1.71333e+04   -2.14727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22048e+04   -1.72841e+06    3.48880e+05   -1.37953e+06   -1.31876e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13106e+02   -2.10614e+02    5.18286e+01    3.96320e-06

           Step           Time
        8795000    17590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38528e+03    1.82913e+04    1.27004e+04    1.08697e+03   -2.83686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44036e+03    1.04468e+05    2.78872e+05   -1.72116e+04   -2.15162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21309e+04   -1.73229e+06    3.47979e+05   -1.38431e+06   -1.31871e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12298e+02   -2.12542e+02   -3.74791e+01    3.92008e-06

           Step           Time
        8800000    17600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50988e+03    1.79921e+04    1.25077e+04    1.12591e+03   -2.81570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60148e+03    1.04604e+05    2.79265e+05   -1.71476e+04   -2.14915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21824e+04   -1.72933e+06    3.49603e+05   -1.37973e+06   -1.31868e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13755e+02   -2.10964e+02   -3.13390e+01    3.87722e-06

           Step           Time
        8805000    17610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37615e+03    1.86240e+04    1.23333e+04    1.03365e+03   -2.73115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52088e+03    1.04135e+05    2.78931e+05   -1.72003e+04   -2.14681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23204e+04   -1.72747e+06    3.48923e+05   -1.37854e+06   -1.31859e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13145e+02   -2.12262e+02    5.46735e+01    4.03473e-06

           Step           Time
        8810000    17620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54041e+03    1.79803e+04    1.23180e+04    1.07307e+03   -2.79212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54838e+03    1.04048e+05    2.78370e+05   -1.71600e+04   -2.14807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20785e+04   -1.73007e+06    3.48024e+05   -1.38204e+06   -1.31858e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12338e+02   -2.11271e+02   -8.27637e+00    3.93397e-06

           Step           Time
        8815000    17630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47655e+03    1.83889e+04    1.22368e+04    1.14551e+03   -2.68629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45044e+03    1.04308e+05    2.77557e+05   -1.71420e+04   -2.14916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21304e+04   -1.73129e+06    3.48454e+05   -1.38284e+06   -1.31850e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12724e+02   -2.10827e+02   -1.25241e+02    3.97990e-06

           Step           Time
        8820000    17640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54032e+03    1.81636e+04    1.23288e+04    1.01291e+03   -2.75505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58279e+03    1.04179e+05    2.80423e+05   -1.72032e+04   -2.14951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20359e+04   -1.72921e+06    3.48122e+05   -1.38108e+06   -1.31850e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12426e+02   -2.12334e+02    1.26912e+02    3.82342e-06

           Step           Time
        8825000    17650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44328e+03    1.86665e+04    1.24051e+04    1.04011e+03   -2.91012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54662e+03    1.04474e+05    2.79538e+05   -1.71377e+04   -2.14954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20141e+04   -1.72946e+06    3.48610e+05   -1.38085e+06   -1.31844e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12864e+02   -2.10721e+02   -9.75515e+00    4.02904e-06

           Step           Time
        8830000    17660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48861e+03    1.80973e+04    1.23352e+04    1.02893e+03   -2.73890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56932e+03    1.04615e+05    2.77256e+05   -1.71886e+04   -2.14628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21473e+04   -1.72867e+06    3.48905e+05   -1.37977e+06   -1.31842e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13129e+02   -2.11974e+02   -5.14370e+01    4.17247e-06

           Step           Time
        8835000    17670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62794e+03    1.81351e+04    1.24467e+04    1.12065e+03   -2.78783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47158e+03    1.04491e+05    2.78613e+05   -1.72259e+04   -2.14942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19663e+04   -1.73057e+06    3.47161e+05   -1.38340e+06   -1.31835e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11563e+02   -2.12893e+02   -2.75778e+01    4.02885e-06

           Step           Time
        8840000    17680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34989e+03    1.82388e+04    1.22038e+04    1.12725e+03   -2.76719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52787e+03    1.04898e+05    2.78689e+05   -1.71392e+04   -2.14998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20149e+04   -1.73084e+06    3.48726e+05   -1.38212e+06   -1.31832e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12968e+02   -2.10758e+02   -6.28135e+01    4.01290e-06

           Step           Time
        8845000    17690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36764e+03    1.77031e+04    1.23301e+04    1.12008e+03   -2.94818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67038e+03    1.04571e+05    2.79974e+05   -1.72004e+04   -2.15214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20645e+04   -1.73249e+06    3.50007e+05   -1.38248e+06   -1.31836e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14118e+02   -2.12265e+02    3.03977e+01    3.94798e-06

           Step           Time
        8850000    17700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53004e+03    1.83810e+04    1.24199e+04    1.12472e+03   -2.79788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54937e+03    1.04661e+05    2.79531e+05   -1.71755e+04   -2.15134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21121e+04   -1.73100e+06    3.49245e+05   -1.38175e+06   -1.31825e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13434e+02   -2.11651e+02    1.08679e+01    4.04774e-06

           Step           Time
        8855000    17710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46029e+03    1.82570e+04    1.22007e+04    1.12703e+03   -2.72021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51209e+03    1.04177e+05    2.83897e+05   -1.72028e+04   -2.15474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22574e+04   -1.73078e+06    3.51372e+05   -1.37941e+06   -1.31828e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15343e+02   -2.12323e+02    2.12187e+02    4.19962e-06

           Step           Time
        8860000    17720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62161e+03    1.77513e+04    1.23391e+04    1.10131e+03   -2.79039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45143e+03    1.03758e+05    2.79587e+05   -1.71921e+04   -2.15246e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18858e+04   -1.73394e+06    3.48504e+05   -1.38544e+06   -1.31826e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12769e+02   -2.12061e+02   -6.38521e+01    3.94013e-06

           Step           Time
        8865000    17730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61263e+03    1.80027e+04    1.24562e+04    1.04316e+03   -2.77201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58227e+03    1.04399e+05    2.79760e+05   -1.71463e+04   -2.15026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22704e+04   -1.73005e+06    3.48675e+05   -1.38138e+06   -1.31820e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12922e+02   -2.10933e+02    3.27244e+01    4.03716e-06

           Step           Time
        8870000    17740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67848e+03    1.81504e+04    1.22269e+04    1.11522e+03   -2.70580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38339e+03    1.04012e+05    2.81944e+05   -1.71661e+04   -2.15295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21207e+04   -1.73119e+06    3.49155e+05   -1.38203e+06   -1.31815e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13353e+02   -2.11419e+02    2.24039e+01    3.81028e-06

Writing checkpoint, step 8872100 at Thu Dec  7 07:57:56 2023


           Step           Time
        8875000    17750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56014e+03    1.83045e+04    1.23203e+04    1.02121e+03   -2.87486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45831e+03    1.04628e+05    2.77685e+05   -1.71610e+04   -2.14715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20406e+04   -1.72917e+06    3.48026e+05   -1.38114e+06   -1.31813e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12340e+02   -2.11296e+02   -9.53285e+01    4.04087e-06

           Step           Time
        8880000    17760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50733e+03    1.84010e+04    1.21009e+04    1.02245e+03   -2.68156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59372e+03    1.04283e+05    2.78995e+05   -1.71567e+04   -2.14784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21365e+04   -1.72864e+06    3.49143e+05   -1.37950e+06   -1.31810e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13342e+02   -2.11190e+02    7.57937e+01    3.95352e-06

           Step           Time
        8885000    17770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61580e+03    1.79827e+04    1.22682e+04    1.06350e+03   -2.69784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57278e+03    1.04425e+05    2.79192e+05   -1.71793e+04   -2.14977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20768e+04   -1.73045e+06    3.48975e+05   -1.38147e+06   -1.31807e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13192e+02   -2.11746e+02    1.99956e+01    4.14919e-06

           Step           Time
        8890000    17780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62086e+03    1.78102e+04    1.24953e+04    1.10961e+03   -2.77661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54262e+03    1.04835e+05    2.77742e+05   -1.71381e+04   -2.14546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21717e+04   -1.72705e+06    3.48286e+05   -1.37877e+06   -1.31798e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12573e+02   -2.10732e+02   -7.87620e+01    4.00559e-06

           Step           Time
        8895000    17790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39096e+03    1.80624e+04    1.23457e+04    1.07138e+03   -2.73363e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53342e+03    1.04251e+05    2.80835e+05   -1.71739e+04   -2.15276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21279e+04   -1.73205e+06    3.50169e+05   -1.38188e+06   -1.31802e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14263e+02   -2.11612e+02    6.79835e+01    3.99346e-06

           Step           Time
        8900000    17800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42762e+03    1.82044e+04    1.25399e+04    1.07888e+03   -2.85926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52154e+03    1.03983e+05    2.80135e+05   -1.71721e+04   -2.14723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20462e+04   -1.72733e+06    3.47751e+05   -1.37958e+06   -1.31794e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12093e+02   -2.11567e+02    1.23542e+02    3.98925e-06

           Step           Time
        8905000    17810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52307e+03    1.82228e+04    1.24330e+04    1.05495e+03   -2.77623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60431e+03    1.04137e+05    2.76140e+05   -1.71567e+04   -2.14497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20600e+04   -1.72873e+06    3.48839e+05   -1.37989e+06   -1.31791e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13070e+02   -2.11188e+02   -1.10493e+02    4.02968e-06

           Step           Time
        8910000    17820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65840e+03    1.82312e+04    1.24656e+04    1.07192e+03   -2.73975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47254e+03    1.03935e+05    2.79302e+05   -1.71720e+04   -2.14671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22422e+04   -1.72724e+06    3.48002e+05   -1.37924e+06   -1.31786e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12319e+02   -2.11565e+02   -2.27922e+01    3.98388e-06

           Step           Time
        8915000    17830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66308e+03    1.86873e+04    1.23076e+04    1.06527e+03   -2.88312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50855e+03    1.03834e+05    2.79367e+05   -1.71666e+04   -2.14776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20496e+04   -1.72832e+06    3.46559e+05   -1.38177e+06   -1.31781e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11023e+02   -2.11432e+02    8.90242e+00    4.06704e-06

           Step           Time
        8920000    17840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60110e+03    1.82672e+04    1.23111e+04    1.12475e+03   -2.85352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46911e+03    1.04003e+05    2.79954e+05   -1.71425e+04   -2.14935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24219e+04   -1.72920e+06    3.48435e+05   -1.38076e+06   -1.31784e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12707e+02   -2.10841e+02    2.24529e+01    4.05058e-06

           Step           Time
        8925000    17850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67084e+03    1.85382e+04    1.25637e+04    1.17174e+03   -2.88252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56733e+03    1.04318e+05    2.76956e+05   -1.71512e+04   -2.14848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18897e+04   -1.73083e+06    3.49311e+05   -1.38152e+06   -1.31775e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13493e+02   -2.11055e+02   -1.06409e+02    3.75632e-06

           Step           Time
        8930000    17860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33229e+03    1.83810e+04    1.24122e+04    1.10707e+03   -2.73072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65569e+03    1.04478e+05    2.78902e+05   -1.72096e+04   -2.14795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19933e+04   -1.72863e+06    3.47870e+05   -1.38076e+06   -1.31777e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12200e+02   -2.12492e+02    8.24319e+01    4.22386e-06

           Step           Time
        8935000    17870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56755e+03    1.82315e+04    1.25181e+04    1.12428e+03   -2.88368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49816e+03    1.03994e+05    2.79951e+05   -1.71744e+04   -2.15024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21532e+04   -1.73026e+06    3.49224e+05   -1.38104e+06   -1.31773e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13415e+02   -2.11624e+02    2.22064e+01    3.99625e-06

           Step           Time
        8940000    17880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53731e+03    1.81115e+04    1.24715e+04    1.00528e+03   -2.87795e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43540e+03    1.04307e+05    2.79237e+05   -1.71426e+04   -2.14909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20792e+04   -1.72993e+06    3.47990e+05   -1.38194e+06   -1.31769e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12307e+02   -2.10844e+02   -5.83958e+01    3.97403e-06

           Step           Time
        8945000    17890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66022e+03    1.85021e+04    1.24030e+04    1.11816e+03   -2.91700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47938e+03    1.04062e+05    2.80759e+05   -1.71761e+04   -2.15119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21194e+04   -1.73018e+06    3.49791e+05   -1.38039e+06   -1.31768e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13924e+02   -2.11667e+02    7.32607e+01    4.06391e-06

           Step           Time
        8950000    17900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38566e+03    1.80314e+04    1.23713e+04    1.07842e+03   -2.85192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58853e+03    1.04109e+05    2.77922e+05   -1.71295e+04   -2.14907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21111e+04   -1.73145e+06    3.48612e+05   -1.38284e+06   -1.31769e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12865e+02   -2.10520e+02   -5.35633e+01    4.01925e-06

           Step           Time
        8955000    17910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48259e+03    1.85931e+04    1.25932e+04    1.18224e+03   -2.87306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58698e+03    1.04005e+05    2.80234e+05   -1.71604e+04   -2.14883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21728e+04   -1.72801e+06    3.49850e+05   -1.37816e+06   -1.31759e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13977e+02   -2.11280e+02    1.22260e+02    3.99014e-06

           Step           Time
        8960000    17920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35216e+03    1.83586e+04    1.23977e+04    1.08216e+03   -2.88835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55461e+03    1.04226e+05    2.78474e+05   -1.71519e+04   -2.15066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20425e+04   -1.73222e+06    3.47400e+05   -1.38482e+06   -1.31754e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11778e+02   -2.11072e+02   -1.00394e+02    3.97565e-06

           Step           Time
        8965000    17930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67797e+03    1.84855e+04    1.24736e+04    1.06145e+03   -2.74498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60239e+03    1.03979e+05    2.82364e+05   -1.71680e+04   -2.15136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21528e+04   -1.72847e+06    3.51099e+05   -1.37737e+06   -1.31752e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15098e+02   -2.11468e+02    1.51432e+02    3.96663e-06

           Step           Time
        8970000    17940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76100e+03    1.85117e+04    1.23279e+04    1.10111e+03   -2.74724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58019e+03    1.04323e+05    2.79587e+05   -1.71391e+04   -2.14749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21310e+04   -1.72705e+06    3.47706e+05   -1.37935e+06   -1.31747e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12052e+02   -2.10758e+02    2.90306e+01    4.25645e-06

           Step           Time
        8975000    17950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52626e+03    1.80247e+04    1.22659e+04    1.08374e+03   -2.77642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53832e+03    1.04664e+05    2.78468e+05   -1.71641e+04   -2.14981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20563e+04   -1.73112e+06    3.47730e+05   -1.38339e+06   -1.31747e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12074e+02   -2.11370e+02   -5.54945e+01    3.91257e-06

           Step           Time
        8980000    17960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75709e+03    1.81125e+04    1.22280e+04    1.00750e+03   -2.76597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37129e+03    1.04085e+05    2.78362e+05   -1.71357e+04   -2.14689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22595e+04   -1.72861e+06    3.49303e+05   -1.37930e+06   -1.31747e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13486e+02   -2.10672e+02   -1.05962e+02    4.29254e-06

           Step           Time
        8985000    17970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72574e+03    1.84641e+04    1.22634e+04    1.06591e+03   -2.73730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54549e+03    1.04086e+05    2.78574e+05   -1.71506e+04   -2.14929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21660e+04   -1.73029e+06    3.48023e+05   -1.38227e+06   -1.31737e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12337e+02   -2.11039e+02   -5.22957e+01    4.01312e-06

           Step           Time
        8990000    17980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83895e+03    1.80825e+04    1.24819e+04    1.12294e+03   -2.91260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46925e+03    1.04203e+05    2.76982e+05   -1.71168e+04   -2.14375e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22562e+04   -1.72634e+06    3.47300e+05   -1.37904e+06   -1.31738e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11688e+02   -2.10209e+02   -1.36807e+02    4.10212e-06

           Step           Time
        8995000    17990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75811e+03    1.79797e+04    1.23050e+04    1.12854e+03   -2.68296e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45340e+03    1.04085e+05    2.77773e+05   -1.71653e+04   -2.14729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19726e+04   -1.72969e+06    3.49984e+05   -1.37970e+06   -1.31735e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14097e+02   -2.11401e+02   -9.76525e+01    4.09912e-06

           Step           Time
        9000000    18000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57075e+03    1.84260e+04    1.23600e+04    1.07585e+03   -2.83426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50047e+03    1.04346e+05    2.80859e+05   -1.71563e+04   -2.15195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19360e+04   -1.73087e+06    3.51372e+05   -1.37949e+06   -1.31729e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15343e+02   -2.11179e+02    1.87338e+01    4.32959e-06

           Step           Time
        9005000    18010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41699e+03    1.81691e+04    1.23208e+04    1.05881e+03   -2.84803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57257e+03    1.04339e+05    2.78842e+05   -1.71649e+04   -2.14953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21525e+04   -1.73067e+06    3.48239e+05   -1.38243e+06   -1.31724e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12531e+02   -2.11390e+02    2.80780e+01    3.85330e-06

           Step           Time
        9010000    18020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61627e+03    1.83214e+04    1.23313e+04    1.08004e+03   -2.82125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56354e+03    1.03868e+05    2.78314e+05   -1.71888e+04   -2.14757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21418e+04   -1.72934e+06    3.48346e+05   -1.38100e+06   -1.31722e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12627e+02   -2.11980e+02   -4.74646e+01    4.04081e-06

           Step           Time
        9015000    18030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59415e+03    1.85424e+04    1.23669e+04    1.09315e+03   -2.72117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50736e+03    1.03972e+05    2.78994e+05   -1.71638e+04   -2.14776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21321e+04   -1.72844e+06    3.49684e+05   -1.37876e+06   -1.31722e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13827e+02   -2.11364e+02   -5.91593e+00    3.89665e-06

           Step           Time
        9020000    18040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.19217e+03    1.80062e+04    1.23476e+04    1.12060e+03   -2.68682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55902e+03    1.04208e+05    2.80063e+05   -1.71412e+04   -2.15149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21669e+04   -1.73165e+06    3.48594e+05   -1.38306e+06   -1.31719e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12850e+02   -2.10808e+02    3.74263e+01    4.06048e-06

           Step           Time
        9025000    18050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52803e+03    1.83258e+04    1.22968e+04    1.03049e+03   -2.74196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66228e+03    1.04321e+05    2.78774e+05   -1.71389e+04   -2.14780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21755e+04   -1.72857e+06    3.50586e+05   -1.37799e+06   -1.31714e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14637e+02   -2.10751e+02    5.19935e+01    4.00833e-06

           Step           Time
        9030000    18060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36047e+03    1.82820e+04    1.22943e+04    1.15655e+03   -2.72890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64659e+03    1.04398e+05    2.79315e+05   -1.71384e+04   -2.15052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20178e+04   -1.73091e+06    3.46688e+05   -1.38423e+06   -1.31712e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.10740e+02    5.08760e+00    3.91205e-06

           Step           Time
        9035000    18070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42773e+03    1.84718e+04    1.23222e+04    1.09862e+03   -2.81025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60363e+03    1.04122e+05    2.81772e+05   -1.71602e+04   -2.15420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21585e+04   -1.73219e+06    3.49162e+05   -1.38303e+06   -1.31709e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13359e+02   -2.11276e+02    1.24294e+02    3.86934e-06

           Step           Time
        9040000    18080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49215e+03    1.85775e+04    1.24954e+04    1.15541e+03   -2.77841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60783e+03    1.04159e+05    2.79485e+05   -1.71752e+04   -2.14869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21675e+04   -1.72850e+06    3.50002e+05   -1.37850e+06   -1.31705e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14113e+02   -2.11643e+02    7.30070e+01    3.95609e-06

           Step           Time
        9045000    18090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50973e+03    1.86194e+04    1.25275e+04    1.00282e+03   -2.75252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53356e+03    1.04327e+05    2.78630e+05   -1.71578e+04   -2.14682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21257e+04   -1.72746e+06    3.49488e+05   -1.37797e+06   -1.31701e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13652e+02   -2.11217e+02    1.71102e+01    3.97963e-06

           Step           Time
        9050000    18100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59820e+03    1.87175e+04    1.24490e+04    1.13034e+03   -2.72267e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50356e+03    1.03681e+05    2.77751e+05   -1.71515e+04   -2.14681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22997e+04   -1.72855e+06    3.49100e+05   -1.37945e+06   -1.31694e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13303e+02   -2.11062e+02   -6.32092e+01    4.07806e-06

           Step           Time
        9055000    18110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40244e+03    1.83633e+04    1.23753e+04    1.09152e+03   -2.75681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49097e+03    1.04241e+05    2.79317e+05   -1.71675e+04   -2.14976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21197e+04   -1.73029e+06    3.49012e+05   -1.38127e+06   -1.31695e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13225e+02   -2.11455e+02   -3.46543e+01    3.77013e-06

           Step           Time
        9060000    18120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65381e+03    1.86011e+04    1.24312e+04    1.13677e+03   -2.65253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49742e+03    1.03971e+05    2.77695e+05   -1.71502e+04   -2.14455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21484e+04   -1.72622e+06    3.50824e+05   -1.37540e+06   -1.31692e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14851e+02   -2.11030e+02    8.93056e-01    3.99748e-06

           Step           Time
        9065000    18130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68184e+03    1.81352e+04    1.23214e+04    1.11513e+03   -2.75871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58622e+03    1.04060e+05    2.78887e+05   -1.71592e+04   -2.14792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20071e+04   -1.72905e+06    3.49190e+05   -1.37986e+06   -1.31687e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13385e+02   -2.11250e+02    2.82405e+01    4.11883e-06

           Step           Time
        9070000    18140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91092e+03    1.80346e+04    1.22822e+04    1.01794e+03   -2.76604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53034e+03    1.04258e+05    2.79563e+05   -1.71997e+04   -2.15024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22318e+04   -1.73037e+06    3.49144e+05   -1.38123e+06   -1.31680e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13344e+02   -2.12248e+02    4.03906e+01    4.07374e-06

           Step           Time
        9075000    18150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46648e+03    1.82325e+04    1.23916e+04    1.11459e+03   -2.81218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60192e+03    1.04034e+05    2.81334e+05   -1.71857e+04   -2.15280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23641e+04   -1.73126e+06    3.48579e+05   -1.38268e+06   -1.31678e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12836e+02   -2.11904e+02    1.48034e+02    4.07962e-06

           Step           Time
        9080000    18160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48767e+03    1.82076e+04    1.25194e+04    1.15141e+03   -2.84775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54770e+03    1.04787e+05    2.78528e+05   -1.71744e+04   -2.14798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21041e+04   -1.72866e+06    3.49237e+05   -1.37943e+06   -1.31675e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13427e+02   -2.11624e+02    2.55671e+01    3.98599e-06

           Step           Time
        9085000    18170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41769e+03    1.83813e+04    1.21837e+04    9.63573e+02   -2.80925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51282e+03    1.04447e+05    2.78609e+05   -1.71666e+04   -2.14901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20446e+04   -1.73043e+06    3.47904e+05   -1.38253e+06   -1.31673e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12231e+02   -2.11432e+02   -1.17486e+01    4.14418e-06

           Step           Time
        9090000    18180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42973e+03    1.87430e+04    1.22492e+04    1.08410e+03   -2.72046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54782e+03    1.04285e+05    2.79671e+05   -1.71992e+04   -2.15060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20070e+04   -1.73050e+06    3.49301e+05   -1.38120e+06   -1.31668e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13484e+02   -2.12235e+02    1.16917e+02    4.12322e-06

           Step           Time
        9095000    18190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51629e+03    1.84278e+04    1.22616e+04    1.05452e+03   -2.80536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51889e+03    1.03910e+05    2.77981e+05   -1.71366e+04   -2.14884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19764e+04   -1.73114e+06    3.48219e+05   -1.38292e+06   -1.31664e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12513e+02   -2.10696e+02   -9.13188e+01    4.11114e-06

           Step           Time
        9100000    18200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63659e+03    1.83831e+04    1.22717e+04    1.14864e+03   -2.72470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57595e+03    1.03956e+05    2.80677e+05   -1.71359e+04   -2.14937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21290e+04   -1.72845e+06    3.49717e+05   -1.37873e+06   -1.31659e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13858e+02   -2.10677e+02    1.55520e+01    3.91273e-06

           Step           Time
        9105000    18210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48138e+03    1.82245e+04    1.24426e+04    1.07107e+03   -2.70749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62078e+03    1.03768e+05    2.76917e+05   -1.71658e+04   -2.14624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22600e+04   -1.72933e+06    3.47247e+05   -1.38208e+06   -1.31659e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11640e+02   -2.11413e+02   -2.54637e+01    4.01091e-06

           Step           Time
        9110000    18220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52283e+03    1.87105e+04    1.22080e+04    1.14809e+03   -2.78300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49056e+03    1.03403e+05    2.79822e+05   -1.71466e+04   -2.14995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20905e+04   -1.73048e+06    3.49998e+05   -1.38048e+06   -1.31659e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14109e+02   -2.10942e+02   -7.33744e+00    4.07643e-06

           Step           Time
        9115000    18230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38793e+03    1.84689e+04    1.23044e+04    1.13054e+03   -2.79076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54788e+03    1.04011e+05    2.77519e+05   -1.71579e+04   -2.14595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21113e+04   -1.72841e+06    3.47374e+05   -1.38104e+06   -1.31651e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11755e+02   -2.11220e+02   -1.67939e+01    4.12921e-06

           Step           Time
        9120000    18240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52675e+03    1.86831e+04    1.22748e+04    1.07869e+03   -2.74861e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44346e+03    1.03945e+05    2.79611e+05   -1.71705e+04   -2.14804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21480e+04   -1.72825e+06    3.49994e+05   -1.37826e+06   -1.31649e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14106e+02   -2.11530e+02    1.44929e+01    3.96073e-06

           Step           Time
        9125000    18250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45465e+03    1.80310e+04    1.23450e+04    1.15639e+03   -2.84936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46659e+03    1.04055e+05    2.78400e+05   -1.71848e+04   -2.14796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19657e+04   -1.73012e+06    3.49273e+05   -1.38085e+06   -1.31648e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13459e+02   -2.11881e+02   -2.41469e+01    4.07442e-06

           Step           Time
        9130000    18260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58520e+03    1.83694e+04    1.22502e+04    1.16065e+03   -2.83353e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54057e+03    1.03967e+05    2.79006e+05   -1.71733e+04   -2.14879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21840e+04   -1.72973e+06    3.49333e+05   -1.38040e+06   -1.31646e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13513e+02   -2.11597e+02   -1.35617e+01    4.26313e-06

           Step           Time
        9135000    18270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43029e+03    1.82595e+04    1.22898e+04    1.10103e+03   -2.74535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50959e+03    1.03837e+05    2.77568e+05   -1.71476e+04   -2.14660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21551e+04   -1.72935e+06    3.47244e+05   -1.38210e+06   -1.31639e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11638e+02   -2.10966e+02   -9.29222e+01    3.96976e-06

           Step           Time
        9140000    18280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40278e+03    1.83892e+04    1.22213e+04    1.07921e+03   -2.80859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63911e+03    1.04201e+05    2.79711e+05   -1.71483e+04   -2.14887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21538e+04   -1.72903e+06    3.46491e+05   -1.38254e+06   -1.31629e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10962e+02   -2.10983e+02   -1.89932e+00    4.05755e-06

           Step           Time
        9145000    18290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59674e+03    1.82393e+04    1.24738e+04    1.09712e+03   -2.74103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56203e+03    1.04011e+05    2.79925e+05   -1.71566e+04   -2.14830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21437e+04   -1.72815e+06    3.46974e+05   -1.38117e+06   -1.31629e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11395e+02   -2.11188e+02    3.69265e+01    3.95800e-06

           Step           Time
        9150000    18300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58802e+03    1.81397e+04    1.23694e+04    1.10378e+03   -2.84682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39406e+03    1.04451e+05    2.82125e+05   -1.71623e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20768e+04   -1.73169e+06    3.49677e+05   -1.38202e+06   -1.31628e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13822e+02   -2.11327e+02    8.86095e+01    4.33581e-06

           Step           Time
        9155000    18310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61056e+03    1.83859e+04    1.22537e+04    1.12815e+03   -2.74845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44564e+03    1.04088e+05    2.77825e+05   -1.71570e+04   -2.14519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21286e+04   -1.72723e+06    3.48720e+05   -1.37851e+06   -1.31627e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12963e+02   -2.11198e+02    2.38337e+00    4.01873e-06

           Step           Time
        9160000    18320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74194e+03    1.85280e+04    1.23309e+04    1.10040e+03   -2.75771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57163e+03    1.03609e+05    2.81873e+05   -1.71942e+04   -2.15283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21425e+04   -1.73089e+06    3.49728e+05   -1.38116e+06   -1.31615e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13867e+02   -2.12112e+02    1.33123e+02    3.99093e-06

           Step           Time
        9165000    18330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61071e+03    1.83032e+04    1.23665e+04    1.11439e+03   -2.84261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60737e+03    1.04353e+05    2.78859e+05   -1.71553e+04   -2.14821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22070e+04   -1.72879e+06    3.49405e+05   -1.37938e+06   -1.31614e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13577e+02   -2.11154e+02    2.84746e+01    4.01928e-06

           Step           Time
        9170000    18340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62761e+03    1.83792e+04    1.22924e+04    1.06069e+03   -2.85917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47712e+03    1.04156e+05    2.80608e+05   -1.71763e+04   -2.14936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20860e+04   -1.72871e+06    3.47250e+05   -1.38146e+06   -1.31612e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11644e+02   -2.11671e+02    6.25500e+01    3.94788e-06

           Step           Time
        9175000    18350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65539e+03    1.81059e+04    1.23094e+04    1.10595e+03   -2.73460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46589e+03    1.04745e+05    2.79842e+05   -1.71395e+04   -2.14856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22711e+04   -1.72793e+06    3.48191e+05   -1.37974e+06   -1.31611e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12488e+02   -2.10767e+02    2.67800e+01    4.18375e-06

           Step           Time
        9180000    18360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59362e+03    1.82283e+04    1.24306e+04    1.05605e+03   -2.72971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51900e+03    1.03785e+05    2.80684e+05   -1.71768e+04   -2.14972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20357e+04   -1.72930e+06    3.48153e+05   -1.38114e+06   -1.31609e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12454e+02   -2.11683e+02    1.07423e+02    4.05372e-06

           Step           Time
        9185000    18370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68626e+03    1.83781e+04    1.22272e+04    1.05214e+03   -2.82207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50552e+03    1.04279e+05    2.78212e+05   -1.71675e+04   -2.14774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21422e+04   -1.72924e+06    3.48542e+05   -1.38070e+06   -1.31604e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12803e+02   -2.11454e+02   -6.80893e+01    4.04787e-06

           Step           Time
        9190000    18380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47969e+03    1.83648e+04    1.23670e+04    1.09054e+03   -2.75074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52210e+03    1.04327e+05    2.79507e+05   -1.71549e+04   -2.14849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23135e+04   -1.72842e+06    3.49382e+05   -1.37904e+06   -1.31599e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13557e+02   -2.11145e+02    2.51555e+01    4.00789e-06

           Step           Time
        9195000    18390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63217e+03    1.80103e+04    1.23171e+04    1.18154e+03   -2.73306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55235e+03    1.04707e+05    2.77406e+05   -1.71347e+04   -2.14776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21888e+04   -1.72964e+06    3.46250e+05   -1.38339e+06   -1.31597e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10746e+02   -2.10650e+02   -1.15472e+02    3.91280e-06

           Step           Time
        9200000    18400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63652e+03    1.82950e+04    1.23447e+04    1.13653e+03   -2.66211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64251e+03    1.04080e+05    2.80609e+05   -1.71928e+04   -2.15269e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20161e+04   -1.73179e+06    3.50631e+05   -1.38116e+06   -1.31597e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14678e+02   -2.12077e+02    1.36105e+02    4.06963e-06

           Step           Time
        9205000    18410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.16192e+03    1.84190e+04    1.23132e+04    1.17204e+03   -2.80131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63407e+03    1.04988e+05    2.82286e+05   -1.71688e+04   -2.15320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21408e+04   -1.73006e+06    3.50757e+05   -1.37930e+06   -1.31596e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14791e+02   -2.11486e+02    1.73563e+02    4.11304e-06

           Step           Time
        9210000    18420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46767e+03    1.82536e+04    1.22430e+04    1.18622e+03   -2.68181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59443e+03    1.04550e+05    2.78015e+05   -1.71435e+04   -2.14501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19269e+04   -1.72660e+06    3.49031e+05   -1.37757e+06   -1.31593e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13241e+02   -2.10864e+02    1.48648e+00    4.15374e-06

           Step           Time
        9215000    18430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36918e+03    1.82236e+04    1.23204e+04    1.09015e+03   -2.72618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51903e+03    1.04358e+05    2.79492e+05   -1.71660e+04   -2.15043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22012e+04   -1.73075e+06    3.48404e+05   -1.38234e+06   -1.31586e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12679e+02   -2.11417e+02    3.74575e+01    4.05458e-06

           Step           Time
        9220000    18440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48153e+03    1.82519e+04    1.23311e+04    1.08802e+03   -2.67868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62244e+03    1.04323e+05    2.77425e+05   -1.71273e+04   -2.14625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20727e+04   -1.72847e+06    3.47153e+05   -1.38131e+06   -1.31582e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11557e+02   -2.10467e+02   -2.46444e+01    3.95560e-06

           Step           Time
        9225000    18450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63240e+03    1.82392e+04    1.23684e+04    1.08471e+03   -2.80333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51393e+03    1.04117e+05    2.78187e+05   -1.71401e+04   -2.14705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22388e+04   -1.72862e+06    3.49351e+05   -1.37926e+06   -1.31584e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13529e+02   -2.10781e+02   -2.30109e+01    3.99103e-06

           Step           Time
        9230000    18460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60384e+03    1.82598e+04    1.25650e+04    1.08494e+03   -2.77743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50296e+03    1.03963e+05    2.79578e+05   -1.71561e+04   -2.14918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20153e+04   -1.72954e+06    3.48614e+05   -1.38092e+06   -1.31581e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12868e+02   -2.11175e+02   -2.56289e+01    3.85457e-06

           Step           Time
        9235000    18470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38240e+03    1.85976e+04    1.24658e+04    1.09038e+03   -2.71883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46681e+03    1.04309e+05    2.78720e+05   -1.71721e+04   -2.14850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22415e+04   -1.72912e+06    3.48217e+05   -1.38090e+06   -1.31581e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12511e+02   -2.11568e+02   -1.43093e+01    4.23702e-06

           Step           Time
        9240000    18480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84447e+03    1.81151e+04    1.23013e+04    1.14733e+03   -2.88098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43799e+03    1.04193e+05    2.78311e+05   -1.71370e+04   -2.14810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19975e+04   -1.72977e+06    3.49641e+05   -1.38013e+06   -1.31577e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13789e+02   -2.10704e+02   -9.20876e+01    3.98484e-06

           Step           Time
        9245000    18490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34167e+03    1.80878e+04    1.25053e+04    1.22155e+03   -2.80276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48261e+03    1.04218e+05    2.78220e+05   -1.71779e+04   -2.14977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22458e+04   -1.73143e+06    3.47300e+05   -1.38413e+06   -1.31578e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11688e+02   -2.11711e+02   -3.53973e+01    4.19042e-06

           Step           Time
        9250000    18500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54860e+03    1.86544e+04    1.23853e+04    1.09942e+03   -2.82417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57302e+03    1.03975e+05    2.79893e+05   -1.71843e+04   -2.14703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20460e+04   -1.72687e+06    3.48575e+05   -1.37829e+06   -1.31568e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12833e+02   -2.11867e+02    1.07093e+02    3.98680e-06

           Step           Time
        9255000    18510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53613e+03    1.85358e+04    1.24829e+04    1.10111e+03   -2.86452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54090e+03    1.04224e+05    2.79421e+05   -1.71700e+04   -2.14816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19573e+04   -1.72839e+06    3.48879e+05   -1.37951e+06   -1.31567e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13105e+02   -2.11517e+02    7.94952e+01    4.23995e-06

           Step           Time
        9260000    18520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51323e+03    1.82328e+04    1.24102e+04    1.07263e+03   -2.79307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59434e+03    1.03582e+05    2.80483e+05   -1.71773e+04   -2.15013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21108e+04   -1.73010e+06    3.49544e+05   -1.38055e+06   -1.31567e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13702e+02   -2.11697e+02    8.50040e+01    4.00231e-06

           Step           Time
        9265000    18530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75908e+03    1.85174e+04    1.23833e+04    1.08047e+03   -2.78777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41972e+03    1.03626e+05    2.77650e+05   -1.71601e+04   -2.14636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19893e+04   -1.72888e+06    3.49594e+05   -1.37928e+06   -1.31560e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13747e+02   -2.11272e+02   -1.85440e+01    4.07411e-06

           Step           Time
        9270000    18540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55256e+03    1.83299e+04    1.23144e+04    1.04539e+03   -2.72460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48332e+03    1.04332e+05    2.78249e+05   -1.71656e+04   -2.14736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22436e+04   -1.72870e+06    3.48604e+05   -1.38010e+06   -1.31560e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12859e+02   -2.11408e+02   -3.39543e+01    3.98507e-06

           Step           Time
        9275000    18550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47461e+03    1.84284e+04    1.23063e+04    1.12703e+03   -2.77155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56667e+03    1.04171e+05    2.79188e+05   -1.71550e+04   -2.14887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22519e+04   -1.72928e+06    3.49921e+05   -1.37936e+06   -1.31555e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14041e+02   -2.11148e+02    8.36161e+01    4.19821e-06

           Step           Time
        9280000    18560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61615e+03    1.85284e+04    1.24312e+04    1.11280e+03   -2.82223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56538e+03    1.04068e+05    2.81311e+05   -1.71914e+04   -2.15244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22218e+04   -1.73060e+06    3.47783e+05   -1.38281e+06   -1.31550e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12121e+02   -2.12042e+02    6.39381e+01    4.10693e-06

           Step           Time
        9285000    18570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52381e+03    1.82601e+04    1.22125e+04    1.01772e+03   -2.72627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60958e+03    1.04177e+05    2.79649e+05   -1.71602e+04   -2.14907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20899e+04   -1.72942e+06    3.47919e+05   -1.38150e+06   -1.31549e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12244e+02   -2.11276e+02    4.58137e+01    3.91464e-06

           Step           Time
        9290000    18580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62145e+03    1.81372e+04    1.23951e+04    1.08661e+03   -2.67699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48569e+03    1.04112e+05    2.79910e+05   -1.71612e+04   -2.14938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20405e+04   -1.72943e+06    3.49303e+05   -1.38012e+06   -1.31547e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13486e+02   -2.11299e+02    3.22734e+01    4.12651e-06

           Step           Time
        9295000    18590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50806e+03    1.84666e+04    1.22453e+04    1.04376e+03   -2.76551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44766e+03    1.04029e+05    2.77272e+05   -1.71601e+04   -2.14546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22006e+04   -1.72817e+06    3.49784e+05   -1.37839e+06   -1.31546e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13917e+02   -2.11273e+02   -8.29046e+01    4.15382e-06

           Step           Time
        9300000    18600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67280e+03    1.79731e+04    1.22883e+04    1.04838e+03   -2.78722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37797e+03    1.04332e+05    2.81214e+05   -1.71624e+04   -2.15213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19732e+04   -1.73120e+06    3.46426e+05   -1.38477e+06   -1.31546e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10904e+02   -2.11330e+02    7.73267e+00    4.12517e-06

           Step           Time
        9305000    18610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54925e+03    1.82197e+04    1.24847e+04    1.11344e+03   -2.83188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55583e+03    1.04135e+05    2.78723e+05   -1.72065e+04   -2.14911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21074e+04   -1.73026e+06    3.49097e+05   -1.38116e+06   -1.31540e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13301e+02   -2.12416e+02    1.91834e+01    4.07154e-06

           Step           Time
        9310000    18620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60682e+03    1.79520e+04    1.24392e+04    1.09866e+03   -2.73025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43755e+03    1.04279e+05    2.78778e+05   -1.71757e+04   -2.14904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20580e+04   -1.73030e+06    3.48564e+05   -1.38173e+06   -1.31543e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12823e+02   -2.11656e+02    5.15032e+00    4.12399e-06

           Step           Time
        9315000    18630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51921e+03    1.78414e+04    1.23186e+04    1.14872e+03   -2.70932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65399e+03    1.04617e+05    2.78944e+05   -1.72137e+04   -2.14922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21721e+04   -1.72993e+06    3.49284e+05   -1.38065e+06   -1.31540e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13468e+02   -2.12594e+02    7.75544e+01    4.02250e-06

           Step           Time
        9320000    18640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46508e+03    1.82849e+04    1.24556e+04    9.99041e+02   -2.88113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.31864e+03    1.04117e+05    2.81098e+05   -1.71819e+04   -2.15110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21507e+04   -1.73027e+06    3.49085e+05   -1.38119e+06   -1.31536e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13290e+02   -2.11809e+02    7.08883e+01    4.10702e-06

           Step           Time
        9325000    18650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69896e+03    1.82558e+04    1.23094e+04    1.04981e+03   -2.84502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41649e+03    1.03649e+05    2.82794e+05   -1.71907e+04   -2.15402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19920e+04   -1.73189e+06    3.48194e+05   -1.38369e+06   -1.31533e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12491e+02   -2.12027e+02    7.56698e+01    4.34088e-06

           Step           Time
        9330000    18660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51020e+03    1.84527e+04    1.23976e+04    1.08571e+03   -2.81062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48549e+03    1.04222e+05    2.79224e+05   -1.72025e+04   -2.15203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20807e+04   -1.73258e+06    3.49615e+05   -1.38297e+06   -1.31529e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13766e+02   -2.12318e+02   -1.50644e+01    4.11084e-06

           Step           Time
        9335000    18670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68324e+03    1.82463e+04    1.23978e+04    1.09030e+03   -2.86466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52251e+03    1.04567e+05    2.80935e+05   -1.71855e+04   -2.15140e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21954e+04   -1.72981e+06    3.49439e+05   -1.38037e+06   -1.31525e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13608e+02   -2.11898e+02    6.22371e+01    3.98545e-06

           Step           Time
        9340000    18680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42015e+03    1.83051e+04    1.24058e+04    1.08878e+03   -2.85644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61885e+03    1.04130e+05    2.76494e+05   -1.71597e+04   -2.14508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21164e+04   -1.72852e+06    3.48707e+05   -1.37981e+06   -1.31523e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12951e+02   -2.11263e+02   -6.60840e+01    4.08954e-06

           Step           Time
        9345000    18690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52450e+03    1.79984e+04    1.22813e+04    1.07058e+03   -2.83920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54076e+03    1.04136e+05    2.79097e+05   -1.71620e+04   -2.15042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22383e+04   -1.73153e+06    3.48202e+05   -1.38333e+06   -1.31518e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12498e+02   -2.11319e+02   -3.46171e+01    3.87706e-06

           Step           Time
        9350000    18700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64142e+03    1.82967e+04    1.22899e+04    1.10386e+03   -2.85055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43029e+03    1.04320e+05    2.77470e+05   -1.71628e+04   -2.14896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19564e+04   -1.73146e+06    3.50001e+05   -1.38146e+06   -1.31516e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14112e+02   -2.11339e+02   -1.06511e+02    4.03531e-06

           Step           Time
        9355000    18710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30635e+03    1.83365e+04    1.26442e+04    1.14949e+03   -2.88720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47076e+03    1.03986e+05    2.81946e+05   -1.71681e+04   -2.15094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22045e+04   -1.72895e+06    3.46517e+05   -1.38244e+06   -1.31513e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10986e+02   -2.11470e+02    9.06473e+01    4.16164e-06

           Step           Time
        9360000    18720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45104e+03    1.84310e+04    1.23397e+04    1.04303e+03   -2.77517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54603e+03    1.04496e+05    2.78315e+05   -1.71675e+04   -2.14673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23105e+04   -1.72774e+06    3.49904e+05   -1.37784e+06   -1.31507e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14025e+02   -2.11455e+02   -4.17382e+01    4.22775e-06

           Step           Time
        9365000    18730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34686e+03    1.83644e+04    1.23290e+04    1.09008e+03   -2.65869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63190e+03    1.04420e+05    2.77207e+05   -1.71151e+04   -2.14622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19628e+04   -1.72865e+06    3.48687e+05   -1.37996e+06   -1.31506e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12933e+02   -2.10168e+02   -5.06137e+01    4.09406e-06

           Step           Time
        9370000    18740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65805e+03    1.89038e+04    1.24432e+04    1.07694e+03   -2.88087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53180e+03    1.03936e+05    2.77083e+05   -1.71112e+04   -2.14295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22967e+04   -1.72501e+06    3.50331e+05   -1.37468e+06   -1.31501e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14409e+02   -2.10071e+02   -4.51720e+01    4.07162e-06

           Step           Time
        9375000    18750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61228e+03    1.82458e+04    1.25881e+04    1.13249e+03   -2.75199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50016e+03    1.04472e+05    2.76988e+05   -1.71043e+04   -2.14696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22763e+04   -1.72900e+06    3.48276e+05   -1.38073e+06   -1.31498e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12564e+02   -2.09902e+02   -1.38864e+02    4.05474e-06

           Step           Time
        9380000    18760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64378e+03    1.86355e+04    1.23683e+04    1.06614e+03   -2.77462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37683e+03    1.04580e+05    2.79250e+05   -1.71438e+04   -2.14680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21545e+04   -1.72664e+06    3.48858e+05   -1.37779e+06   -1.31493e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13086e+02   -2.10872e+02    9.38311e+00    4.04900e-06

           Step           Time
        9385000    18770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34330e+03    1.80965e+04    1.24870e+04    1.09533e+03   -2.83864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59072e+03    1.04966e+05    2.81280e+05   -1.72196e+04   -2.15291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23037e+04   -1.73080e+06    3.48047e+05   -1.38276e+06   -1.31491e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12358e+02   -2.12738e+02    1.30836e+02    4.04199e-06

           Step           Time
        9390000    18780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65613e+03    1.84594e+04    1.25734e+04    1.05146e+03   -2.76863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49505e+03    1.03984e+05    2.80717e+05   -1.71746e+04   -2.15104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21807e+04   -1.72986e+06    3.47202e+05   -1.38266e+06   -1.31485e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11601e+02   -2.11629e+02    6.16832e+01    3.94946e-06

           Step           Time
        9395000    18790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77965e+03    1.83771e+04    1.25753e+04    1.05493e+03   -2.73595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49577e+03    1.04449e+05    2.80901e+05   -1.71695e+04   -2.15265e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22525e+04   -1.73067e+06    3.48658e+05   -1.38202e+06   -1.31486e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12907e+02   -2.11503e+02    1.91640e+01    3.90035e-06

           Step           Time
        9400000    18800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46381e+03    1.84978e+04    1.23795e+04    1.07393e+03   -2.82838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58113e+03    1.04346e+05    2.78115e+05   -1.71306e+04   -2.14784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20260e+04   -1.72931e+06    3.49596e+05   -1.37972e+06   -1.31484e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13749e+02   -2.10547e+02   -3.17926e+01    4.07658e-06

           Step           Time
        9405000    18810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80462e+03    1.83251e+04    1.24065e+04    1.03307e+03   -2.74211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57689e+03    1.04363e+05    2.79176e+05   -1.71726e+04   -2.14993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23211e+04   -1.72984e+06    3.49310e+05   -1.38053e+06   -1.31477e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13492e+02   -2.11579e+02   -1.79227e+01    4.03073e-06

           Step           Time
        9410000    18820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34381e+03    1.81708e+04    1.24598e+04    1.10134e+03   -2.81639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59753e+03    1.04819e+05    2.78011e+05   -1.71449e+04   -2.14705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21658e+04   -1.72834e+06    3.49510e+05   -1.37883e+06   -1.31476e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13672e+02   -2.10898e+02   -1.10217e+01    4.01980e-06

           Step           Time
        9415000    18830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38019e+03    1.81810e+04    1.24437e+04    1.18817e+03   -2.75330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55401e+03    1.04589e+05    2.78297e+05   -1.71626e+04   -2.14957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21058e+04   -1.73075e+06    3.49583e+05   -1.38117e+06   -1.31475e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13737e+02   -2.11333e+02    1.15780e+01    4.23114e-06

           Step           Time
        9420000    18840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56561e+03    1.84976e+04    1.24915e+04    1.05540e+03   -2.76197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45060e+03    1.04491e+05    2.82136e+05   -1.71424e+04   -2.15088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22122e+04   -1.72789e+06    3.49426e+05   -1.37846e+06   -1.31468e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13597e+02   -2.10838e+02    5.89429e+01    4.02864e-06

           Step           Time
        9425000    18850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47158e+03    1.80400e+04    1.25717e+04    1.22896e+03   -2.81144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58895e+03    1.04354e+05    2.78474e+05   -1.71698e+04   -2.14828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22279e+04   -1.72930e+06    3.50079e+05   -1.37922e+06   -1.31467e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14182e+02   -2.11513e+02    1.87553e+01    4.08725e-06

           Step           Time
        9430000    18860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60293e+03    1.79022e+04    1.24285e+04    1.08629e+03   -2.67810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42876e+03    1.04697e+05    2.80109e+05   -1.71301e+04   -2.15050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22188e+04   -1.72983e+06    3.49603e+05   -1.38023e+06   -1.31464e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13755e+02   -2.10535e+02   -9.61492e+00    4.02910e-06

           Step           Time
        9435000    18870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57932e+03    1.82751e+04    1.24311e+04    1.10802e+03   -2.63862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46841e+03    1.05067e+05    2.79124e+05   -1.71336e+04   -2.15032e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21083e+04   -1.72994e+06    3.48857e+05   -1.38108e+06   -1.31457e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13086e+02   -2.10622e+02   -1.94112e+01    4.11068e-06

           Step           Time
        9440000    18880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57810e+03    1.87916e+04    1.24192e+04    1.09135e+03   -2.74484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48579e+03    1.04433e+05    2.77161e+05   -1.71501e+04   -2.14409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22176e+04   -1.72581e+06    3.50157e+05   -1.37565e+06   -1.31457e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14253e+02   -2.11027e+02   -6.85790e+01    4.11618e-06

           Step           Time
        9445000    18890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59099e+03    1.80814e+04    1.25579e+04    1.17261e+03   -2.68919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57450e+03    1.04531e+05    2.76655e+05   -1.71703e+04   -2.14602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21004e+04   -1.72861e+06    3.47258e+05   -1.38136e+06   -1.31452e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11650e+02   -2.11523e+02   -9.28257e+01    3.94960e-06

           Step           Time
        9450000    18900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59536e+03    1.84782e+04    1.26203e+04    1.15381e+03   -2.82708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62277e+03    1.04478e+05    2.77471e+05   -1.70981e+04   -2.14776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20537e+04   -1.72922e+06    3.49916e+05   -1.37930e+06   -1.31449e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14036e+02   -2.09751e+02   -1.22573e+02    4.03478e-06

           Step           Time
        9455000    18910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51695e+03    1.84632e+04    1.24466e+04    1.04517e+03   -2.79631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61603e+03    1.04602e+05    2.81256e+05   -1.71790e+04   -2.15290e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20797e+04   -1.73085e+06    3.48766e+05   -1.38208e+06   -1.31443e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13004e+02   -2.11737e+02    1.06999e+02    4.26745e-06

           Step           Time
        9460000    18920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42129e+03    1.83564e+04    1.24856e+04    1.08864e+03   -2.85061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46080e+03    1.04781e+05    2.78312e+05   -1.71321e+04   -2.14959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20141e+04   -1.73066e+06    3.49370e+05   -1.38129e+06   -1.31445e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13546e+02   -2.10585e+02   -3.76780e+01    4.15876e-06

           Step           Time
        9465000    18930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45360e+03    1.85509e+04    1.23520e+04    1.10291e+03   -2.83075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41705e+03    1.04624e+05    2.79485e+05   -1.71937e+04   -2.15046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19767e+04   -1.73052e+06    3.49215e+05   -1.38130e+06   -1.31439e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13407e+02   -2.12101e+02    2.47643e+01    4.12077e-06

           Step           Time
        9470000    18940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72156e+03    1.82310e+04    1.24276e+04    1.08709e+03   -2.82514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43889e+03    1.04224e+05    2.78374e+05   -1.71869e+04   -2.14910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20866e+04   -1.73052e+06    3.49454e+05   -1.38107e+06   -1.31441e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13622e+02   -2.11933e+02   -9.50462e+01    3.93384e-06

           Step           Time
        9475000    18950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35375e+03    1.79895e+04    1.24317e+04    1.06629e+03   -2.80534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47945e+03    1.04461e+05    2.79446e+05   -1.71610e+04   -2.15095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21219e+04   -1.73157e+06    3.49171e+05   -1.38240e+06   -1.31439e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13367e+02   -2.11296e+02    1.40069e+01    4.03060e-06

           Step           Time
        9480000    18960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51731e+03    1.86142e+04    1.23665e+04    1.13587e+03   -2.88032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50257e+03    1.04257e+05    2.77875e+05   -1.71588e+04   -2.14767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21082e+04   -1.72933e+06    3.49642e+05   -1.37969e+06   -1.31431e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13790e+02   -2.11242e+02   -6.28413e+01    4.20795e-06

           Step           Time
        9485000    18970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44738e+03    1.84233e+04    1.25515e+04    1.12231e+03   -2.90808e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44904e+03    1.04244e+05    2.78275e+05   -1.71676e+04   -2.14925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21534e+04   -1.73066e+06    3.48527e+05   -1.38213e+06   -1.31427e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12790e+02   -2.11457e+02   -7.58209e+01    3.97635e-06

           Step           Time
        9490000    18980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58277e+03    1.85163e+04    1.24518e+04    1.14368e+03   -2.75644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52080e+03    1.04427e+05    2.79754e+05   -1.71579e+04   -2.14972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21623e+04   -1.72907e+06    3.47592e+05   -1.38148e+06   -1.31425e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11950e+02   -2.11218e+02    1.31523e+01    4.01017e-06

           Step           Time
        9495000    18990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28527e+03    1.83576e+04    1.21725e+04    1.19235e+03   -2.78244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50436e+03    1.04217e+05    2.81251e+05   -1.71808e+04   -2.15147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20759e+04   -1.73038e+06    3.48553e+05   -1.38183e+06   -1.31423e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12813e+02   -2.11782e+02    6.98413e+01    4.13790e-06

           Step           Time
        9500000    19000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50242e+03    1.86176e+04    1.23317e+04    1.10644e+03   -2.75928e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41255e+03    1.04405e+05    2.76318e+05   -1.71544e+04   -2.14592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21008e+04   -1.72904e+06    3.49372e+05   -1.37966e+06   -1.31419e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13548e+02   -2.11133e+02   -9.80927e+01    4.22320e-06

           Step           Time
        9505000    19010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71987e+03    1.81333e+04    1.21855e+04    1.04584e+03   -2.72233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58589e+03    1.04231e+05    2.75375e+05   -1.71455e+04   -2.14346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20930e+04   -1.72796e+06    3.48936e+05   -1.37902e+06   -1.31415e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13157e+02   -2.10915e+02   -1.53167e+02    4.05426e-06

           Step           Time
        9510000    19020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72071e+03    1.84530e+04    1.23146e+04    1.05390e+03   -2.69869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44175e+03    1.04072e+05    2.75932e+05   -1.71608e+04   -2.14378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22158e+04   -1.72743e+06    3.47074e+05   -1.38036e+06   -1.31408e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11486e+02   -2.11290e+02   -1.21362e+02    4.01852e-06

           Step           Time
        9515000    19030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62635e+03    1.82597e+04    1.22791e+04    1.19473e+03   -2.75933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49452e+03    1.04049e+05    2.78317e+05   -1.71593e+04   -2.14717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19936e+04   -1.72887e+06    3.48853e+05   -1.38002e+06   -1.31409e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13082e+02   -2.11253e+02   -1.01155e+01    4.05233e-06

           Step           Time
        9520000    19040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50763e+03    1.85151e+04    1.22962e+04    1.01125e+03   -2.66154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65087e+03    1.04366e+05    2.80362e+05   -1.71829e+04   -2.15221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20631e+04   -1.73128e+06    3.48399e+05   -1.38289e+06   -1.31398e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12675e+02   -2.11834e+02    2.40471e+01    4.01631e-06

           Step           Time
        9525000    19050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65214e+03    1.88799e+04    1.24346e+04    1.04477e+03   -2.78992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48995e+03    1.04448e+05    2.79034e+05   -1.71922e+04   -2.14828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21202e+04   -1.72816e+06    3.49121e+05   -1.37904e+06   -1.31392e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13323e+02   -2.12063e+02   -2.09826e+01    4.12988e-06

           Step           Time
        9530000    19060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57006e+03    1.84894e+04    1.22854e+04    1.06910e+03   -2.74531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51286e+03    1.04574e+05    2.79628e+05   -1.71743e+04   -2.14826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22203e+04   -1.72783e+06    3.49018e+05   -1.37881e+06   -1.31391e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13230e+02   -2.11623e+02    7.22517e+01    4.10074e-06

           Step           Time
        9535000    19070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64304e+03    1.80653e+04    1.23953e+04    1.10518e+03   -2.76219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54453e+03    1.04568e+05    2.79121e+05   -1.71860e+04   -2.14819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19638e+04   -1.72873e+06    3.48741e+05   -1.37999e+06   -1.31385e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12981e+02   -2.11909e+02   -1.88064e+01    4.08053e-06

           Step           Time
        9540000    19080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46281e+03    1.78133e+04    1.22874e+04    1.11967e+03   -2.78338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60695e+03    1.04241e+05    2.78780e+05   -1.72029e+04   -2.15023e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19154e+04   -1.73199e+06    3.49195e+05   -1.38280e+06   -1.31389e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13389e+02   -2.12326e+02    9.96333e+00    4.03045e-06

           Step           Time
        9545000    19090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56016e+03    1.83948e+04    1.22895e+04    1.03211e+03   -2.74010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52834e+03    1.04312e+05    2.80987e+05   -1.71284e+04   -2.15117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21244e+04   -1.72981e+06    3.48972e+05   -1.38083e+06   -1.31379e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13189e+02   -2.10495e+02    4.18119e+01    4.11864e-06

           Step           Time
        9550000    19100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61005e+03    1.84462e+04    1.23261e+04    1.10334e+03   -2.78907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53124e+03    1.04362e+05    2.77451e+05   -1.71896e+04   -2.14744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19969e+04   -1.72960e+06    3.49226e+05   -1.38037e+06   -1.31378e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13417e+02   -2.11998e+02   -2.68411e+01    4.11432e-06

           Step           Time
        9555000    19110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69714e+03    1.84429e+04    1.23897e+04    1.11856e+03   -2.70241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42328e+03    1.04332e+05    2.78141e+05   -1.71593e+04   -2.14827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20887e+04   -1.72950e+06    3.51075e+05   -1.37842e+06   -1.31376e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15077e+02   -2.11253e+02   -9.90864e+01    4.02059e-06

           Step           Time
        9560000    19120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61830e+03    1.86860e+04    1.24850e+04    1.11640e+03   -2.78478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56871e+03    1.03864e+05    2.80898e+05   -1.71808e+04   -2.15058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20995e+04   -1.72921e+06    3.49881e+05   -1.37933e+06   -1.31368e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14004e+02   -2.11782e+02    1.80823e+02    4.00367e-06

           Step           Time
        9565000    19130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44015e+03    1.89301e+04    1.23552e+04    1.00034e+03   -2.69587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53031e+03    1.03824e+05    2.79166e+05   -1.71616e+04   -2.14845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20824e+04   -1.72898e+06    3.48081e+05   -1.38090e+06   -1.31365e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12389e+02   -2.11309e+02   -2.91774e+00    4.03123e-06

           Step           Time
        9570000    19140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48478e+03    1.82140e+04    1.23891e+04    1.15689e+03   -2.73539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55671e+03    1.04110e+05    2.78834e+05   -1.71733e+04   -2.14674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22564e+04   -1.72764e+06    3.46174e+05   -1.38147e+06   -1.31365e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10678e+02   -2.11598e+02    6.20330e+01    4.14683e-06

           Step           Time
        9575000    19150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49508e+03    1.82283e+04    1.23008e+04    1.03006e+03   -2.73808e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49435e+03    1.04358e+05    2.79037e+05   -1.71852e+04   -2.14983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21862e+04   -1.73062e+06    3.49772e+05   -1.38085e+06   -1.31361e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13907e+02   -2.11890e+02    8.73593e+00    4.03610e-06

           Step           Time
        9580000    19160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44697e+03    1.85749e+04    1.25144e+04    1.06525e+03   -2.75174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54151e+03    1.04278e+05    2.81145e+05   -1.71767e+04   -2.15015e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22268e+04   -1.72828e+06    3.49073e+05   -1.37921e+06   -1.31358e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13279e+02   -2.11681e+02    1.21903e+02    4.03361e-06

           Step           Time
        9585000    19170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60359e+03    1.82542e+04    1.23658e+04    1.06583e+03   -2.78089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54856e+03    1.04289e+05    2.82370e+05   -1.71763e+04   -2.15233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21971e+04   -1.72960e+06    3.47488e+05   -1.38211e+06   -1.31352e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11857e+02   -2.11671e+02    1.64795e+02    4.07450e-06

           Step           Time
        9590000    19180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51630e+03    1.83631e+04    1.24898e+04    1.01189e+03   -2.76400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35784e+03    1.04179e+05    2.82348e+05   -1.71524e+04   -2.15214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20856e+04   -1.72970e+06    3.49173e+05   -1.38053e+06   -1.31354e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13369e+02   -2.11084e+02    9.48950e+01    4.00464e-06

           Step           Time
        9595000    19190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48589e+03    1.81211e+04    1.25484e+04    1.16400e+03   -2.73789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52351e+03    1.04345e+05    2.78626e+05   -1.72034e+04   -2.14988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21501e+04   -1.73085e+06    3.49572e+05   -1.38128e+06   -1.31350e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13727e+02   -2.12340e+02   -1.14901e+01    4.00786e-06

           Step           Time
        9600000    19200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55330e+03    1.81938e+04    1.23104e+04    1.11917e+03   -2.74304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44822e+03    1.03914e+05    2.79430e+05   -1.71608e+04   -2.14851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20085e+04   -1.72943e+06    3.48824e+05   -1.38061e+06   -1.31348e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13056e+02   -2.11290e+02    3.45842e+01    3.99358e-06

           Step           Time
        9605000    19210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52470e+03    1.80470e+04    1.23073e+04    1.01387e+03   -2.79076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61183e+03    1.04554e+05    2.78836e+05   -1.71774e+04   -2.14798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23153e+04   -1.72874e+06    3.47963e+05   -1.38077e+06   -1.31345e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12284e+02   -2.11699e+02    7.38242e+01    4.11896e-06

           Step           Time
        9610000    19220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31552e+03    1.82543e+04    1.23496e+04    1.02331e+03   -2.84587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48677e+03    1.04167e+05    2.78703e+05   -1.71601e+04   -2.15051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19583e+04   -1.73225e+06    3.48429e+05   -1.38383e+06   -1.31348e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12702e+02   -2.11273e+02   -8.29782e+01    4.00727e-06

Writing checkpoint, step 9613700 at Thu Dec  7 08:12:56 2023


           Step           Time
        9615000    19230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46294e+03    1.83829e+04    1.22879e+04    1.07306e+03   -2.82151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54970e+03    1.04277e+05    2.76756e+05   -1.71956e+04   -2.14728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20777e+04   -1.73043e+06    3.49443e+05   -1.38098e+06   -1.31345e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13612e+02   -2.12146e+02   -8.47568e+01    3.98650e-06

           Step           Time
        9620000    19240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53799e+03    1.81982e+04    1.21220e+04    1.13288e+03   -2.77985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48109e+03    1.03743e+05    2.79979e+05   -1.71748e+04   -2.15087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20871e+04   -1.73154e+06    3.47722e+05   -1.38382e+06   -1.31338e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12067e+02   -2.11635e+02   -3.54280e+00    3.99404e-06

           Step           Time
        9625000    19250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79476e+03    1.79892e+04    1.22621e+04    1.10643e+03   -2.66357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47146e+03    1.04444e+05    2.79203e+05   -1.71795e+04   -2.14984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19291e+04   -1.73048e+06    3.48673e+05   -1.38181e+06   -1.31338e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12920e+02   -2.11750e+02   -9.24464e+01    4.01586e-06

           Step           Time
        9630000    19260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40816e+03    1.82528e+04    1.23683e+04    1.13130e+03   -2.69232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46067e+03    1.04148e+05    2.77435e+05   -1.71698e+04   -2.14858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21890e+04   -1.73105e+06    3.47345e+05   -1.38370e+06   -1.31331e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11729e+02   -2.11512e+02   -3.34588e+01    4.05672e-06

           Step           Time
        9635000    19270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62968e+03    1.84769e+04    1.24188e+04    1.11651e+03   -2.77308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39235e+03    1.04309e+05    2.76680e+05   -1.71397e+04   -2.14736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22261e+04   -1.73002e+06    3.48635e+05   -1.38139e+06   -1.31328e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12887e+02   -2.10772e+02   -1.57114e+02    4.09022e-06

           Step           Time
        9640000    19280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43532e+03    1.81583e+04    1.22975e+04    1.05451e+03   -2.73288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48427e+03    1.04661e+05    2.80078e+05   -1.71416e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22511e+04   -1.72865e+06    3.47509e+05   -1.38114e+06   -1.31322e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11876e+02   -2.10817e+02    5.72323e+01    4.20585e-06

           Step           Time
        9645000    19290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49126e+03    1.82614e+04    1.23935e+04    1.04572e+03   -2.82616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51848e+03    1.04711e+05    2.80264e+05   -1.71436e+04   -2.15242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18426e+04   -1.73186e+06    3.48766e+05   -1.38309e+06   -1.31320e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13004e+02   -2.10868e+02   -3.49521e+01    4.16230e-06

           Step           Time
        9650000    19300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48277e+03    1.81314e+04    1.22423e+04    1.07182e+03   -2.74878e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57081e+03    1.04299e+05    2.77620e+05   -1.71648e+04   -2.14774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22262e+04   -1.73001e+06    3.46927e+05   -1.38309e+06   -1.31317e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11354e+02   -2.11388e+02   -5.18230e+01    4.10372e-06

           Step           Time
        9655000    19310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69734e+03    1.83637e+04    1.25444e+04    1.07060e+03   -2.78081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58961e+03    1.04224e+05    2.79152e+05   -1.71840e+04   -2.14790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21404e+04   -1.72808e+06    3.49749e+05   -1.37833e+06   -1.31318e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13886e+02   -2.11861e+02    6.98922e+01    4.15551e-06

           Step           Time
        9660000    19320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67970e+03    1.81348e+04    1.23854e+04    1.12913e+03   -2.80462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42132e+03    1.04252e+05    2.79917e+05   -1.71703e+04   -2.15026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21785e+04   -1.73014e+06    3.47354e+05   -1.38278e+06   -1.31307e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11737e+02   -2.11524e+02    7.01830e+00    4.04410e-06

           Step           Time
        9665000    19330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54183e+03    1.81220e+04    1.25363e+04    1.06519e+03   -2.83858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52388e+03    1.04268e+05    2.77074e+05   -1.71634e+04   -2.14481e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21592e+04   -1.72752e+06    3.47291e+05   -1.38023e+06   -1.31307e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11680e+02   -2.11355e+02   -3.90948e+01    4.09647e-06

           Step           Time
        9670000    19340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58337e+03    1.82725e+04    1.22211e+04    1.14516e+03   -2.71199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46296e+03    1.04817e+05    2.77902e+05   -1.71008e+04   -2.14702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21248e+04   -1.72830e+06    3.49990e+05   -1.37831e+06   -1.31308e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14102e+02   -2.09817e+02   -1.30485e+02    3.95695e-06

           Step           Time
        9675000    19350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49783e+03    1.82257e+04    1.22261e+04    1.02242e+03   -2.66329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47935e+03    1.04730e+05    2.77477e+05   -1.71539e+04   -2.14980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19619e+04   -1.73200e+06    3.50109e+05   -1.38189e+06   -1.31306e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14210e+02   -2.11120e+02   -1.45760e+02    4.14167e-06

           Step           Time
        9680000    19360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43912e+03    1.83260e+04    1.23694e+04    1.05204e+03   -2.88222e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62680e+03    1.04256e+05    2.79375e+05   -1.71454e+04   -2.14958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22974e+04   -1.72987e+06    3.48369e+05   -1.38150e+06   -1.31295e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12647e+02   -2.10913e+02    1.73438e+01    4.09806e-06

           Step           Time
        9685000    19370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56477e+03    1.85515e+04    1.22180e+04    1.07324e+03   -2.63543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50475e+03    1.04314e+05    2.77621e+05   -1.71220e+04   -2.14599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20398e+04   -1.72786e+06    3.47467e+05   -1.38040e+06   -1.31292e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11838e+02   -2.10337e+02   -5.27606e+01    4.05130e-06

           Step           Time
        9690000    19380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58558e+03    1.81901e+04    1.20955e+04    1.11938e+03   -2.72557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66519e+03    1.04451e+05    2.77699e+05   -1.71523e+04   -2.14713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20815e+04   -1.72912e+06    3.49573e+05   -1.37954e+06   -1.31292e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13728e+02   -2.11082e+02   -4.75009e+01    4.14724e-06

           Step           Time
        9695000    19390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61239e+03    1.82265e+04    1.22730e+04    1.18464e+03   -2.62979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50300e+03    1.04347e+05    2.78161e+05   -1.71649e+04   -2.14591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21043e+04   -1.72729e+06    3.47323e+05   -1.37997e+06   -1.31286e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11709e+02   -2.11390e+02   -2.07260e+01    4.12657e-06

           Step           Time
        9700000    19400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65505e+03    1.83859e+04    1.22132e+04    1.10228e+03   -2.74998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47801e+03    1.04411e+05    2.77982e+05   -1.71486e+04   -2.14610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21169e+04   -1.72765e+06    3.48526e+05   -1.37913e+06   -1.31284e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12788e+02   -2.10990e+02   -7.15708e+01    4.16132e-06

           Step           Time
        9705000    19410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58873e+03    1.83429e+04    1.22585e+04    1.17631e+03   -2.71439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54314e+03    1.04705e+05    2.76328e+05   -1.70877e+04   -2.14590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22237e+04   -1.72853e+06    3.48512e+05   -1.38002e+06   -1.31280e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12776e+02   -2.09495e+02   -1.54762e+02    4.14222e-06

           Step           Time
        9710000    19420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48111e+03    1.82155e+04    1.23118e+04    1.09723e+03   -2.60905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56716e+03    1.04698e+05    2.78580e+05   -1.71832e+04   -2.15036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22604e+04   -1.73094e+06    3.49044e+05   -1.38189e+06   -1.31278e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13254e+02   -2.11840e+02   -1.33842e+01    4.18570e-06

           Step           Time
        9715000    19430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59533e+03    1.82274e+04    1.23116e+04    1.09339e+03   -2.72639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55472e+03    1.04106e+05    2.79821e+05   -1.72078e+04   -2.15176e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20329e+04   -1.73195e+06    3.49390e+05   -1.38256e+06   -1.31275e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13564e+02   -2.12447e+02    3.27981e+01    4.09037e-06

           Step           Time
        9720000    19440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55045e+03    1.82616e+04    1.20950e+04    1.11567e+03   -2.84706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53242e+03    1.04545e+05    2.78749e+05   -1.70888e+04   -2.14776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22699e+04   -1.72858e+06    3.48730e+05   -1.37985e+06   -1.31271e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12971e+02   -2.09524e+02   -9.19489e+01    4.10306e-06

           Step           Time
        9725000    19450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73507e+03    1.84716e+04    1.24330e+04    1.12921e+03   -2.82734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59973e+03    1.04536e+05    2.77209e+05   -1.71278e+04   -2.14625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21975e+04   -1.72790e+06    3.48317e+05   -1.37958e+06   -1.31267e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12601e+02   -2.10478e+02   -1.30727e+02    4.23604e-06

           Step           Time
        9730000    19460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57831e+03    1.83704e+04    1.25815e+04    1.08171e+03   -2.73583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57733e+03    1.04122e+05    2.78337e+05   -1.71848e+04   -2.14660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22211e+04   -1.72766e+06    3.49138e+05   -1.37852e+06   -1.31264e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13338e+02   -2.11881e+02    5.14098e+01    4.09217e-06

           Step           Time
        9735000    19470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55751e+03    1.80973e+04    1.23297e+04    1.05926e+03   -2.89675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58121e+03    1.04491e+05    2.79805e+05   -1.71595e+04   -2.15108e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21372e+04   -1.73108e+06    3.47472e+05   -1.38360e+06   -1.31262e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11843e+02   -2.11258e+02    3.87081e+00    4.06972e-06

           Step           Time
        9740000    19480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54957e+03    1.82639e+04    1.22496e+04    1.08078e+03   -2.71626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55067e+03    1.04217e+05    2.81274e+05   -1.71490e+04   -2.14992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20847e+04   -1.72851e+06    3.49876e+05   -1.37864e+06   -1.31263e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14000e+02   -2.11001e+02    8.86647e+01    4.15362e-06

           Step           Time
        9745000    19490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42900e+03    1.83405e+04    1.23931e+04    1.08361e+03   -2.79571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45470e+03    1.04426e+05    2.78634e+05   -1.71710e+04   -2.14890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21466e+04   -1.72996e+06    3.47677e+05   -1.38228e+06   -1.31260e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12027e+02   -2.11540e+02   -4.74571e+01    4.05731e-06

           Step           Time
        9750000    19500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21399e+03    1.87711e+04    1.22806e+04    1.08646e+03   -2.73370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54783e+03    1.04747e+05    2.79407e+05   -1.71701e+04   -2.14774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21048e+04   -1.72749e+06    3.49868e+05   -1.37762e+06   -1.31254e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13993e+02   -2.11519e+02    1.05406e+02    4.14697e-06

           Step           Time
        9755000    19510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39308e+03    1.83400e+04    1.21807e+04    1.09321e+03   -2.78524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60826e+03    1.04632e+05    2.78433e+05   -1.71818e+04   -2.14985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19433e+04   -1.73120e+06    3.50456e+05   -1.38074e+06   -1.31255e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14520e+02   -2.11808e+02    6.14594e-01    4.14191e-06

           Step           Time
        9760000    19520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43837e+03    1.83058e+04    1.24599e+04    1.15455e+03   -2.86337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47911e+03    1.04176e+05    2.79358e+05   -1.71594e+04   -2.15142e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20644e+04   -1.73200e+06    3.47094e+05   -1.38491e+06   -1.31249e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11503e+02   -2.11256e+02    4.16023e+01    3.98871e-06

           Step           Time
        9765000    19530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58808e+03    1.83221e+04    1.24599e+04    1.10790e+03   -2.77304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52308e+03    1.04693e+05    2.79352e+05   -1.71699e+04   -2.14936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22651e+04   -1.72899e+06    3.48580e+05   -1.38041e+06   -1.31246e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12837e+02   -2.11514e+02    3.58313e+01    3.87491e-06

           Step           Time
        9770000    19540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82884e+03    1.80556e+04    1.23932e+04    1.05813e+03   -2.86859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46380e+03    1.04867e+05    2.79282e+05   -1.72179e+04   -2.14953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20872e+04   -1.72958e+06    3.49108e+05   -1.38047e+06   -1.31242e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13311e+02   -2.12697e+02    4.13039e+01    4.16008e-06

           Step           Time
        9775000    19550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48581e+03    1.81846e+04    1.23666e+04    1.15415e+03   -2.81817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49410e+03    1.04830e+05    2.79980e+05   -1.71551e+04   -2.15226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21741e+04   -1.73156e+06    3.48010e+05   -1.38355e+06   -1.31240e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12326e+02   -2.11150e+02    1.69211e+00    4.03052e-06

           Step           Time
        9780000    19560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49465e+03    1.82639e+04    1.24006e+04    1.09374e+03   -2.78366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49825e+03    1.04520e+05    2.77228e+05   -1.71752e+04   -2.14894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18331e+04   -1.73156e+06    3.48702e+05   -1.38286e+06   -1.31236e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12947e+02   -2.11645e+02   -9.02238e+01    4.03612e-06

           Step           Time
        9785000    19570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69595e+03    1.84319e+04    1.23387e+04    1.15647e+03   -2.71110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54465e+03    1.04440e+05    2.78029e+05   -1.71402e+04   -2.14605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20678e+04   -1.72719e+06    3.49057e+05   -1.37814e+06   -1.31231e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13265e+02   -2.10783e+02   -5.06389e+01    4.05526e-06

           Step           Time
        9790000    19580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66032e+03    1.85026e+04    1.24376e+04    1.01072e+03   -2.83649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46506e+03    1.04165e+05    2.79413e+05   -1.71990e+04   -2.15144e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20218e+04   -1.73180e+06    3.48876e+05   -1.38292e+06   -1.31227e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13103e+02   -2.12230e+02   -3.66043e+01    3.98550e-06

           Step           Time
        9795000    19590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54273e+03    1.83447e+04    1.24862e+04    1.07354e+03   -2.89371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38907e+03    1.04443e+05    2.77459e+05   -1.71518e+04   -2.14795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20403e+04   -1.73022e+06    3.50305e+05   -1.37992e+06   -1.31228e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14385e+02   -2.11069e+02   -1.10643e+02    4.08284e-06

           Step           Time
        9800000    19600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83598e+03    1.84580e+04    1.24336e+04    1.05074e+03   -2.89462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50900e+03    1.03933e+05    2.79455e+05   -1.71434e+04   -2.14940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21780e+04   -1.72958e+06    3.50175e+05   -1.37941e+06   -1.31225e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14268e+02   -2.10861e+02    3.39810e+00    4.13545e-06

           Step           Time
        9805000    19610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49860e+03    1.84222e+04    1.24406e+04    1.13419e+03   -2.80173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51049e+03    1.04066e+05    2.79929e+05   -1.71975e+04   -2.14800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19210e+04   -1.72807e+06    3.49778e+05   -1.37829e+06   -1.31220e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13912e+02   -2.12194e+02    1.23098e+02    4.03879e-06

           Step           Time
        9810000    19620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76785e+03    1.80383e+04    1.21611e+04    1.12558e+03   -2.69172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52880e+03    1.04463e+05    2.77366e+05   -1.71812e+04   -2.14768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21076e+04   -1.72999e+06    3.48802e+05   -1.38119e+06   -1.31216e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13036e+02   -2.11793e+02   -8.94405e+01    4.08898e-06

           Step           Time
        9815000    19630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75701e+03    1.84863e+04    1.22253e+04    1.16954e+03   -2.76633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42822e+03    1.04409e+05    2.79552e+05   -1.71272e+04   -2.14717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21662e+04   -1.72687e+06    3.48327e+05   -1.37855e+06   -1.31209e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12610e+02   -2.10464e+02   -6.42391e+00    4.20860e-06

           Step           Time
        9820000    19640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55888e+03    1.85282e+04    1.25246e+04    1.06608e+03   -2.80035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42933e+03    1.04662e+05    2.79619e+05   -1.71987e+04   -2.15105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21627e+04   -1.73049e+06    3.48905e+05   -1.38159e+06   -1.31210e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13128e+02   -2.12223e+02   -1.25187e+01    3.95727e-06

           Step           Time
        9825000    19650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55040e+03    1.82518e+04    1.23732e+04    1.06447e+03   -2.76775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55804e+03    1.04532e+05    2.77058e+05   -1.71807e+04   -2.14741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21181e+04   -1.72985e+06    3.48292e+05   -1.38156e+06   -1.31209e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12578e+02   -2.11781e+02   -3.12691e+01    4.19591e-06

           Step           Time
        9830000    19660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47774e+03    1.81864e+04    1.23712e+04    1.06499e+03   -2.76518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48226e+03    1.04359e+05    2.76613e+05   -1.71568e+04   -2.14814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20071e+04   -1.73150e+06    3.49005e+05   -1.38250e+06   -1.31207e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13218e+02   -2.11193e+02   -1.55774e+02    4.18616e-06

           Step           Time
        9835000    19670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56736e+03    1.80798e+04    1.24776e+04    1.10364e+03   -2.78890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56307e+03    1.04144e+05    2.83540e+05   -1.71719e+04   -2.15332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20691e+04   -1.72974e+06    3.48883e+05   -1.38086e+06   -1.31201e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13109e+02   -2.11563e+02    1.57541e+02    4.16765e-06

           Step           Time
        9840000    19680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34048e+03    1.81110e+04    1.24039e+04    1.10782e+03   -2.71072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66149e+03    1.04528e+05    2.78849e+05   -1.71938e+04   -2.14940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21259e+04   -1.73017e+06    3.49072e+05   -1.38110e+06   -1.31200e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13279e+02   -2.12102e+02   -1.69232e+01    4.09710e-06

           Step           Time
        9845000    19690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53337e+03    1.79127e+04    1.22910e+04    1.12375e+03   -2.70206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54660e+03    1.04583e+05    2.76860e+05   -1.71738e+04   -2.14798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20130e+04   -1.73099e+06    3.49473e+05   -1.38152e+06   -1.31197e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13638e+02   -2.11611e+02   -1.29450e+02    4.12744e-06

           Step           Time
        9850000    19700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52238e+03    1.85465e+04    1.22593e+04    1.19070e+03   -2.79451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48020e+03    1.04310e+05    2.77591e+05   -1.71434e+04   -2.14490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21641e+04   -1.72677e+06    3.48350e+05   -1.37842e+06   -1.31190e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12631e+02   -2.10861e+02   -3.03295e+01    4.11099e-06

           Step           Time
        9855000    19710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54106e+03    1.79652e+04    1.24732e+04    1.08147e+03   -2.76193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49184e+03    1.04403e+05    2.80796e+05   -1.71467e+04   -2.15083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21702e+04   -1.72982e+06    3.48085e+05   -1.38173e+06   -1.31186e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12393e+02   -2.10944e+02    1.62471e+01    4.03205e-06

           Step           Time
        9860000    19720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58103e+03    1.84535e+04    1.22403e+04    1.04632e+03   -2.79788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60527e+03    1.04260e+05    2.80362e+05   -1.71795e+04   -2.14978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19378e+04   -1.72927e+06    3.51729e+05   -1.37755e+06   -1.31187e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15663e+02   -2.11749e+02    7.59779e+01    4.13241e-06

           Step           Time
        9865000    19730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59072e+03    1.83942e+04    1.24195e+04    1.13733e+03   -2.71519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49975e+03    1.03841e+05    2.77945e+05   -1.71699e+04   -2.14789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20674e+04   -1.72988e+06    3.48797e+05   -1.38109e+06   -1.31185e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13032e+02   -2.11513e+02   -8.52895e+01    4.21129e-06

           Step           Time
        9870000    19740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64212e+03    1.83746e+04    1.23436e+04    1.07239e+03   -2.66313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51086e+03    1.04288e+05    2.81090e+05   -1.71523e+04   -2.15175e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21532e+04   -1.73009e+06    3.48379e+05   -1.38172e+06   -1.31176e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12656e+02   -2.11081e+02    9.72583e+00    4.10186e-06

           Step           Time
        9875000    19750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57647e+03    1.86816e+04    1.22050e+04    1.00778e+03   -2.72268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49151e+03    1.04292e+05    2.77473e+05   -1.71627e+04   -2.14668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20765e+04   -1.72876e+06    3.50686e+05   -1.37808e+06   -1.31177e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14727e+02   -2.11337e+02   -5.34138e+01    4.14493e-06

           Step           Time
        9880000    19760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45489e+03    1.85602e+04    1.23171e+04    1.05362e+03   -2.74891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55160e+03    1.04008e+05    2.79267e+05   -1.71934e+04   -2.15017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20597e+04   -1.73084e+06    3.47383e+05   -1.38346e+06   -1.31175e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11763e+02   -2.12092e+02    1.52402e+01    4.08196e-06

           Step           Time
        9885000    19770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59957e+03    1.80226e+04    1.24257e+04    1.06483e+03   -2.76675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53561e+03    1.04703e+05    2.77044e+05   -1.72059e+04   -2.14854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19906e+04   -1.73113e+06    3.48580e+05   -1.38255e+06   -1.31173e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12837e+02   -2.12400e+02   -4.78699e+01    4.12927e-06

           Step           Time
        9890000    19780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83319e+03    1.82980e+04    1.24329e+04    1.11956e+03   -2.77998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60135e+03    1.04341e+05    2.80608e+05   -1.71925e+04   -2.14951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22205e+04   -1.72803e+06    3.50135e+05   -1.37790e+06   -1.31172e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14233e+02   -2.12071e+02    9.16105e+01    4.16664e-06

           Step           Time
        9895000    19790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61345e+03    1.84830e+04    1.23217e+04    1.09362e+03   -2.82337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48051e+03    1.04478e+05    2.79198e+05   -1.71352e+04   -2.14900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20743e+04   -1.72922e+06    3.49228e+05   -1.37999e+06   -1.31161e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13418e+02   -2.10662e+02   -8.34516e+01    4.17491e-06

           Step           Time
        9900000    19800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68981e+03    1.79398e+04    1.23010e+04    1.01325e+03   -2.71473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40545e+03    1.04932e+05    2.81271e+05   -1.71961e+04   -2.15408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20290e+04   -1.73241e+06    3.47958e+05   -1.38445e+06   -1.31163e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12279e+02   -2.12159e+02    3.79119e+01    4.04560e-06

           Step           Time
        9905000    19810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52138e+03    1.82312e+04    1.21291e+04    9.94878e+02   -2.77045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50893e+03    1.04404e+05    2.76624e+05   -1.70991e+04   -2.14526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22026e+04   -1.72852e+06    3.47690e+05   -1.38083e+06   -1.31159e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12039e+02   -2.09774e+02   -1.02845e+02    4.07343e-06

           Step           Time
        9910000    19820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64061e+03    1.81011e+04    1.23013e+04    1.11262e+03   -2.92898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49422e+03    1.03863e+05    2.78521e+05   -1.71786e+04   -2.14866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21526e+04   -1.73059e+06    3.47624e+05   -1.38296e+06   -1.31154e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11979e+02   -2.11728e+02    2.38452e+01    3.97010e-06

           Step           Time
        9915000    19830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44534e+03    1.86236e+04    1.23528e+04    1.05786e+03   -2.77426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48512e+03    1.04283e+05    2.77179e+05   -1.71598e+04   -2.14594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22969e+04   -1.72815e+06    3.46303e+05   -1.38185e+06   -1.31147e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10794e+02   -2.11265e+02   -8.15942e+01    4.07169e-06

           Step           Time
        9920000    19840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74579e+03    1.85518e+04    1.25217e+04    1.10763e+03   -2.81382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46845e+03    1.03604e+05    2.79160e+05   -1.71514e+04   -2.14804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21056e+04   -1.72874e+06    3.50155e+05   -1.37859e+06   -1.31149e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14250e+02   -2.11059e+02   -7.24666e+00    4.11757e-06

           Step           Time
        9925000    19850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33516e+03    1.81909e+04    1.22749e+04    1.10645e+03   -2.73721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62663e+03    1.04052e+05    2.80682e+05   -1.71266e+04   -2.15081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22586e+04   -1.73015e+06    3.48648e+05   -1.38150e+06   -1.31147e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12898e+02   -2.10450e+02    7.04309e+01    4.26183e-06

           Step           Time
        9930000    19860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48536e+03    1.83285e+04    1.24913e+04    1.13524e+03   -2.74496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51643e+03    1.04481e+05    2.79266e+05   -1.71804e+04   -2.14897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22717e+04   -1.72892e+06    3.48483e+05   -1.38043e+06   -1.31139e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12750e+02   -2.11772e+02    5.18057e+01    4.02128e-06

           Step           Time
        9935000    19870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57316e+03    1.83077e+04    1.23866e+04    1.16570e+03   -2.78257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47567e+03    1.04223e+05    2.80184e+05   -1.72288e+04   -2.15203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20213e+04   -1.73170e+06    3.49236e+05   -1.38247e+06   -1.31139e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13426e+02   -2.12966e+02    7.13002e+01    4.09111e-06

           Step           Time
        9940000    19880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72496e+03    1.84287e+04    1.21303e+04    1.03482e+03   -2.69141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50081e+03    1.03902e+05    2.78176e+05   -1.71648e+04   -2.14906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21050e+04   -1.73092e+06    3.48812e+05   -1.38210e+06   -1.31135e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13045e+02   -2.11389e+02   -8.58183e+01    4.12047e-06

           Step           Time
        9945000    19890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41660e+03    1.83940e+04    1.24018e+04    1.04075e+03   -2.74951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55530e+03    1.04669e+05    2.79608e+05   -1.71940e+04   -2.15264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21555e+04   -1.73234e+06    3.47305e+05   -1.38504e+06   -1.31125e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11693e+02   -2.12106e+02    1.61124e+01    4.15371e-06

           Step           Time
        9950000    19900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34230e+03    1.82818e+04    1.24788e+04    1.06897e+03   -2.74499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59268e+03    1.04409e+05    2.78650e+05   -1.71474e+04   -2.14796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19576e+04   -1.72907e+06    3.47561e+05   -1.38151e+06   -1.31128e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11923e+02   -2.10960e+02    3.14127e+01    3.92295e-06

           Step           Time
        9955000    19910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48567e+03    1.82043e+04    1.24433e+04    1.11174e+03   -2.84698e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61624e+03    1.04835e+05    2.80012e+05   -1.71440e+04   -2.14827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21061e+04   -1.72745e+06    3.48539e+05   -1.37891e+06   -1.31124e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12800e+02   -2.10876e+02    1.20022e+02    4.08310e-06

           Step           Time
        9960000    19920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54932e+03    1.84665e+04    1.23688e+04    1.05507e+03   -2.85787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54621e+03    1.03984e+05    2.81915e+05   -1.71920e+04   -2.15424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19502e+04   -1.73245e+06    3.48371e+05   -1.38408e+06   -1.31124e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12649e+02   -2.12057e+02    9.55190e+01    3.99431e-06

           Step           Time
        9965000    19930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49234e+03    1.81011e+04    1.24567e+04    1.07062e+03   -2.73102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59315e+03    1.04800e+05    2.79830e+05   -1.72192e+04   -2.15298e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20044e+04   -1.73259e+06    3.49126e+05   -1.38346e+06   -1.31120e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13327e+02   -2.12728e+02    6.33008e+01    4.01507e-06

           Step           Time
        9970000    19940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65237e+03    1.83584e+04    1.22917e+04    1.06453e+03   -2.68129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35309e+03    1.04578e+05    2.78946e+05   -1.72028e+04   -2.14982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18972e+04   -1.73056e+06    3.51523e+05   -1.37904e+06   -1.31119e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15478e+02   -2.12325e+02   -1.56256e+01    4.34578e-06

           Step           Time
        9975000    19950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49041e+03    1.80317e+04    1.24910e+04    1.05082e+03   -2.82848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39540e+03    1.04257e+05    2.81669e+05   -1.71670e+04   -2.15403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21257e+04   -1.73252e+06    3.48557e+05   -1.38396e+06   -1.31113e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12817e+02   -2.11442e+02    6.96947e+01    4.10348e-06

           Step           Time
        9980000    19960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34475e+03    1.82674e+04    1.24885e+04    1.13010e+03   -2.80385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44575e+03    1.04429e+05    2.78079e+05   -1.71717e+04   -2.14934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22381e+04   -1.73090e+06    3.48015e+05   -1.38288e+06   -1.31107e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12330e+02   -2.11558e+02   -3.26874e+01    3.93327e-06

           Step           Time
        9985000    19970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52598e+03    1.79568e+04    1.23125e+04    1.16824e+03   -2.85238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52354e+03    1.04739e+05    2.80083e+05   -1.71584e+04   -2.15203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20279e+04   -1.73171e+06    3.48349e+05   -1.38336e+06   -1.31109e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12630e+02   -2.11232e+02    4.31965e+01    4.09848e-06

           Step           Time
        9990000    19980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38655e+03    1.84934e+04    1.24178e+04    1.03655e+03   -2.81999e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47496e+03    1.04218e+05    2.79538e+05   -1.71716e+04   -2.14982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21718e+04   -1.73007e+06    3.49408e+05   -1.38066e+06   -1.31107e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13580e+02   -2.11556e+02   -2.25709e+00    4.11450e-06

           Step           Time
        9995000    19990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56969e+03    1.84376e+04    1.23131e+04    1.03254e+03   -2.81228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57732e+03    1.04662e+05    2.80994e+05   -1.71575e+04   -2.15322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21722e+04   -1.73143e+06    3.48954e+05   -1.38248e+06   -1.31099e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13173e+02   -2.11210e+02    5.99616e+01    3.90793e-06

           Step           Time
       10000000    20000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58220e+03    1.80601e+04    1.23251e+04    1.16799e+03   -2.76894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68328e+03    1.04863e+05    2.78317e+05   -1.71559e+04   -2.14743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21679e+04   -1.72819e+06    3.48690e+05   -1.37950e+06   -1.31096e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12935e+02   -2.11170e+02    3.75686e+01    3.96688e-06

           Step           Time
       10005000    20010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53412e+03    1.84722e+04    1.24092e+04    1.13716e+03   -2.85213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44304e+03    1.04196e+05    2.79374e+05   -1.71410e+04   -2.14879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21326e+04   -1.72909e+06    3.49280e+05   -1.37981e+06   -1.31099e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13466e+02   -2.10804e+02    3.44817e+01    4.15861e-06

           Step           Time
       10010000    20020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43014e+03    1.76649e+04    1.22343e+04    1.02841e+03   -2.84489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44134e+03    1.04976e+05    2.79261e+05   -1.71600e+04   -2.14985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20245e+04   -1.73079e+06    3.48536e+05   -1.38226e+06   -1.31096e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12797e+02   -2.11271e+02    2.85315e+01    4.01396e-06

           Step           Time
       10015000    20030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89360e+03    1.79576e+04    1.22985e+04    1.05755e+03   -2.77783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48627e+03    1.04313e+05    2.77715e+05   -1.71548e+04   -2.14688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20248e+04   -1.72906e+06    3.50281e+05   -1.37878e+06   -1.31093e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14364e+02   -2.11143e+02   -6.75044e+01    4.06899e-06

           Step           Time
       10020000    20040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58089e+03    1.80716e+04    1.23291e+04    1.08010e+03   -2.77482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44838e+03    1.04369e+05    2.79858e+05   -1.72030e+04   -2.15523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19482e+04   -1.73552e+06    3.48255e+05   -1.38727e+06   -1.31086e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12545e+02   -2.12328e+02   -8.59529e+01    3.96003e-06

           Step           Time
       10025000    20050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51173e+03    1.86094e+04    1.23607e+04    1.14227e+03   -2.76314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54635e+03    1.03510e+05    2.82134e+05   -1.71555e+04   -2.15104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19576e+04   -1.72919e+06    3.50169e+05   -1.37902e+06   -1.31084e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14263e+02   -2.11161e+02    1.29928e+02    4.15019e-06

           Step           Time
       10030000    20060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55580e+03    1.81898e+04    1.23271e+04    1.11562e+03   -2.84654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59100e+03    1.04686e+05    2.82241e+05   -1.71883e+04   -2.15371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18408e+04   -1.73120e+06    3.50214e+05   -1.38099e+06   -1.31082e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14303e+02   -2.11967e+02    1.32130e+02    4.10926e-06

           Step           Time
       10035000    20070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60926e+03    1.85813e+04    1.24134e+04    1.11701e+03   -2.68101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44542e+03    1.04175e+05    2.78217e+05   -1.71830e+04   -2.14872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20850e+04   -1.72994e+06    3.49518e+05   -1.38042e+06   -1.31078e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13678e+02   -2.11836e+02   -3.58423e+01    4.16217e-06

           Step           Time
       10040000    20080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50570e+03    1.82649e+04    1.24449e+04    1.15180e+03   -2.83248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55700e+03    1.04229e+05    2.82748e+05   -1.71408e+04   -2.15274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20846e+04   -1.72973e+06    3.48155e+05   -1.38157e+06   -1.31073e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12456e+02   -2.10798e+02    1.41526e+02    4.04172e-06

           Step           Time
       10045000    20090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37944e+03    1.80680e+04    1.23048e+04    1.04090e+03   -2.86854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52452e+03    1.04232e+05    2.80395e+05   -1.71861e+04   -2.15101e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21099e+04   -1.73101e+06    3.49193e+05   -1.38181e+06   -1.31077e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13387e+02   -2.11912e+02    8.04754e+01    4.14805e-06

           Step           Time
       10050000    20100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49349e+03    1.85889e+04    1.23551e+04    1.08871e+03   -2.78908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53060e+03    1.04599e+05    2.79306e+05   -1.72068e+04   -2.15191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21430e+04   -1.73180e+06    3.49606e+05   -1.38219e+06   -1.31067e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13758e+02   -2.12422e+02    2.20212e+01    4.12954e-06

           Step           Time
       10055000    20110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63416e+03    1.81468e+04    1.24934e+04    1.10137e+03   -2.71919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62175e+03    1.04187e+05    2.78696e+05   -1.71901e+04   -2.14905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20513e+04   -1.73003e+06    3.49338e+05   -1.38069e+06   -1.31062e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13518e+02   -2.12011e+02    7.39822e+00    4.10594e-06

           Step           Time
       10060000    20120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52765e+03    1.83841e+04    1.23745e+04    1.00129e+03   -2.80191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49979e+03    1.03961e+05    2.81102e+05   -1.71784e+04   -2.15116e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20140e+04   -1.73028e+06    3.49544e+05   -1.38074e+06   -1.31065e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13702e+02   -2.11724e+02    7.91918e+01    4.17792e-06

           Step           Time
       10065000    20130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59321e+03    1.86443e+04    1.23409e+04    9.80276e+02   -2.88151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48744e+03    1.04568e+05    2.81339e+05   -1.72112e+04   -2.15172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20317e+04   -1.72983e+06    3.49114e+05   -1.38071e+06   -1.31060e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13317e+02   -2.12532e+02    1.74625e+02    4.02860e-06

           Step           Time
       10070000    20140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65777e+03    1.79821e+04    1.24177e+04    1.02372e+03   -2.81954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48317e+03    1.04199e+05    2.77704e+05   -1.71739e+04   -2.14877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19784e+04   -1.73132e+06    3.47432e+05   -1.38389e+06   -1.31056e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11807e+02   -2.11611e+02   -7.99688e+01    4.20809e-06

           Step           Time
       10075000    20150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40757e+03    1.87955e+04    1.23025e+04    1.08390e+03   -2.86992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50293e+03    1.04206e+05    2.79805e+05   -1.72092e+04   -2.14862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21090e+04   -1.72849e+06    3.50423e+05   -1.37807e+06   -1.31051e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14491e+02   -2.12483e+02    1.27847e+02    4.31288e-06

           Step           Time
       10080000    20160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50629e+03    1.83379e+04    1.22640e+04    1.06762e+03   -2.78278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60990e+03    1.04372e+05    2.78812e+05   -1.71476e+04   -2.15026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20639e+04   -1.73116e+06    3.47848e+05   -1.38331e+06   -1.31047e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12180e+02   -2.10967e+02   -4.15599e+01    4.20179e-06

           Step           Time
       10085000    20170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76950e+03    1.85840e+04    1.22508e+04    1.01210e+03   -2.82951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50730e+03    1.03804e+05    2.79631e+05   -1.71701e+04   -2.14918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19725e+04   -1.72965e+06    3.47799e+05   -1.38185e+06   -1.31042e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12136e+02   -2.11519e+02    1.49557e+01    3.88851e-06

           Step           Time
       10090000    20180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46786e+03    1.83106e+04    1.24928e+04    1.04452e+03   -2.85740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52224e+03    1.04515e+05    2.79087e+05   -1.71674e+04   -2.14735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20105e+04   -1.72793e+06    3.50260e+05   -1.37767e+06   -1.31041e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14344e+02   -2.11452e+02    5.02557e+01    4.08551e-06

           Step           Time
       10095000    20190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49336e+03    1.80401e+04    1.24067e+04    1.09418e+03   -2.84638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56813e+03    1.04243e+05    2.81419e+05   -1.71658e+04   -2.15450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20531e+04   -1.73320e+06    3.48415e+05   -1.38478e+06   -1.31039e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12689e+02   -2.11413e+02    5.92222e+01    4.20271e-06

           Step           Time
       10100000    20200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54291e+03    1.85805e+04    1.23915e+04    1.11286e+03   -2.80283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54282e+03    1.04313e+05    2.78968e+05   -1.71786e+04   -2.14836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21069e+04   -1.72878e+06    3.50551e+05   -1.37823e+06   -1.31034e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14606e+02   -2.11728e+02    2.13293e+01    4.05581e-06

           Step           Time
       10105000    20210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60690e+03    1.83771e+04    1.23538e+04    1.10434e+03   -2.84551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52483e+03    1.04008e+05    2.80220e+05   -1.72127e+04   -2.15220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20073e+04   -1.73206e+06    3.48193e+05   -1.38386e+06   -1.31029e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12490e+02   -2.12568e+02    7.54727e+01    3.99400e-06

           Step           Time
       10110000    20220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58585e+03    1.81439e+04    1.24207e+04    1.14312e+03   -2.76810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47867e+03    1.04016e+05    2.79741e+05   -1.71756e+04   -2.15136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21266e+04   -1.73165e+06    3.47277e+05   -1.38437e+06   -1.31027e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11668e+02   -2.11655e+02    5.13905e+01    4.27277e-06

           Step           Time
       10115000    20230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80197e+03    1.80253e+04    1.21937e+04    1.04384e+03   -2.69070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46211e+03    1.04477e+05    2.78371e+05   -1.72069e+04   -2.14902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22258e+04   -1.73031e+06    3.47779e+05   -1.38253e+06   -1.31021e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12118e+02   -2.12425e+02   -6.67529e+01    4.06935e-06

           Step           Time
       10120000    20240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54844e+03    1.82301e+04    1.24079e+04    1.04829e+03   -2.70599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41511e+03    1.04327e+05    2.80547e+05   -1.71840e+04   -2.15187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22125e+04   -1.73102e+06    3.46980e+05   -1.38404e+06   -1.31016e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11401e+02   -2.11860e+02    2.89755e+01    4.16081e-06

           Step           Time
       10125000    20250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54100e+03    1.81401e+04    1.23336e+04    1.11126e+03   -2.88566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46778e+03    1.04304e+05    2.78665e+05   -1.72163e+04   -2.15300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20289e+04   -1.73451e+06    3.48439e+05   -1.38607e+06   -1.31012e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12711e+02   -2.12657e+02   -1.06232e+02    4.04811e-06

           Step           Time
       10130000    20260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64205e+03    1.85509e+04    1.25426e+04    1.12768e+03   -2.94177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35284e+03    1.04200e+05    2.81394e+05   -1.71671e+04   -2.15170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21137e+04   -1.72989e+06    3.49045e+05   -1.38084e+06   -1.31008e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13254e+02   -2.11445e+02    7.27137e+01    4.02492e-06

           Step           Time
       10135000    20270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49332e+03    1.83559e+04    1.22432e+04    1.18226e+03   -2.69342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49658e+03    1.04121e+05    2.76368e+05   -1.71641e+04   -2.14500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19284e+04   -1.72867e+06    3.48926e+05   -1.37974e+06   -1.31006e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13148e+02   -2.11372e+02   -6.47171e+01    4.19696e-06

           Step           Time
       10140000    20280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71313e+03    1.77973e+04    1.24258e+04    1.05868e+03   -2.78145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58626e+03    1.04294e+05    2.78736e+05   -1.71522e+04   -2.14613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20351e+04   -1.72742e+06    3.48357e+05   -1.37906e+06   -1.31004e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12637e+02   -2.11079e+02    4.47628e+01    4.21794e-06

           Step           Time
       10145000    20290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49790e+03    1.80480e+04    1.22666e+04    1.13570e+03   -2.78165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60621e+03    1.04002e+05    2.76412e+05   -1.71280e+04   -2.14591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20575e+04   -1.72979e+06    3.47714e+05   -1.38208e+06   -1.30998e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12060e+02   -2.10485e+02   -1.07049e+02    4.16437e-06

           Step           Time
       10150000    20300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72181e+03    1.82880e+04    1.23459e+04    1.08420e+03   -2.85754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53751e+03    1.04332e+05    2.78065e+05   -1.71440e+04   -2.14710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20243e+04   -1.72870e+06    3.51298e+05   -1.37740e+06   -1.30999e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15277e+02   -2.10876e+02   -6.24699e+01    4.20040e-06

           Step           Time
       10155000    20310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31577e+03    1.82015e+04    1.25740e+04    1.10102e+03   -2.81534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51548e+03    1.04521e+05    2.77284e+05   -1.70884e+04   -2.14486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21642e+04   -1.72709e+06    3.46626e+05   -1.38046e+06   -1.30995e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11083e+02   -2.09514e+02   -1.04091e+02    4.16784e-06

           Step           Time
       10160000    20320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32315e+03    1.83411e+04    1.24617e+04    1.12798e+03   -2.81307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58908e+03    1.04091e+05    2.77282e+05   -1.71444e+04   -2.14663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21409e+04   -1.72923e+06    3.48273e+05   -1.38095e+06   -1.30991e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12562e+02   -2.10887e+02    1.05860e+01    3.99172e-06

           Step           Time
       10165000    20330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61767e+03    1.87184e+04    1.25355e+04    1.14053e+03   -2.85879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38213e+03    1.04714e+05    2.77066e+05   -1.71530e+04   -2.14473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20299e+04   -1.72653e+06    3.49350e+05   -1.37718e+06   -1.30986e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13528e+02   -2.11099e+02   -3.63848e+01    4.18240e-06

           Step           Time
       10170000    20340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59653e+03    1.85061e+04    1.23291e+04    1.06592e+03   -2.85236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49948e+03    1.03962e+05    2.77014e+05   -1.71399e+04   -2.14586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21325e+04   -1.72875e+06    3.49270e+05   -1.37948e+06   -1.30984e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13457e+02   -2.10777e+02   -1.09770e+02    3.92962e-06

           Step           Time
       10175000    20350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35044e+03    1.83004e+04    1.24407e+04    1.13669e+03   -2.76235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61631e+03    1.04353e+05    2.78765e+05   -1.71410e+04   -2.14963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20564e+04   -1.73051e+06    3.48972e+05   -1.38154e+06   -1.30981e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13189e+02   -2.10802e+02   -2.43213e+00    4.23030e-06

           Step           Time
       10180000    20360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66310e+03    1.80636e+04    1.23066e+04    1.09239e+03   -2.78659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50161e+03    1.04109e+05    2.80106e+05   -1.71949e+04   -2.15308e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21389e+04   -1.73308e+06    3.46387e+05   -1.38669e+06   -1.30975e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10869e+02   -2.12129e+02   -3.32683e+01    4.07188e-06

           Step           Time
       10185000    20370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58068e+03    1.81952e+04    1.24956e+04    1.03100e+03   -2.78540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58737e+03    1.04650e+05    2.79208e+05   -1.71566e+04   -2.14812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21196e+04   -1.72819e+06    3.50096e+05   -1.37809e+06   -1.30979e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14197e+02   -2.11187e+02    6.98852e+01    4.17954e-06

           Step           Time
       10190000    20380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60611e+03    1.82826e+04    1.25163e+04    1.05322e+03   -2.80336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48372e+03    1.04363e+05    2.76822e+05   -1.71421e+04   -2.14668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20626e+04   -1.72943e+06    3.47914e+05   -1.38152e+06   -1.30973e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12239e+02   -2.10831e+02   -1.33876e+02    3.96222e-06

           Step           Time
       10195000    20390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57757e+03    1.82822e+04    1.23363e+04    1.09288e+03   -2.86581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47181e+03    1.04775e+05    2.77236e+05   -1.71431e+04   -2.14608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19973e+04   -1.72832e+06    3.48727e+05   -1.37959e+06   -1.30965e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12969e+02   -2.10854e+02   -7.79920e+01    4.02316e-06

           Step           Time
       10200000    20400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45208e+03    1.82700e+04    1.25769e+04    1.20015e+03   -2.80217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53077e+03    1.04537e+05    2.77630e+05   -1.71560e+04   -2.14697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20215e+04   -1.72871e+06    3.48796e+05   -1.37991e+06   -1.30961e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13031e+02   -2.11173e+02    6.48216e+00    4.03581e-06

           Step           Time
       10205000    20410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63167e+03    1.84409e+04    1.24826e+04    1.14008e+03   -2.75823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60002e+03    1.04741e+05    2.80267e+05   -1.71868e+04   -2.15280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23113e+04   -1.73113e+06    3.48644e+05   -1.38249e+06   -1.30959e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12894e+02   -2.11930e+02    8.09956e+01    4.02063e-06

           Step           Time
       10210000    20420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45018e+03    1.83632e+04    1.24059e+04    1.01569e+03   -2.80938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61893e+03    1.04536e+05    2.80655e+05   -1.71802e+04   -2.15193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20465e+04   -1.73083e+06    3.48407e+05   -1.38242e+06   -1.30957e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12682e+02   -2.11767e+02    4.81390e+01    4.12105e-06

           Step           Time
       10215000    20430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34831e+03    1.85743e+04    1.25673e+04    1.03122e+03   -2.86945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46700e+03    1.04018e+05    2.80956e+05   -1.71568e+04   -2.14891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20799e+04   -1.72790e+06    3.46384e+05   -1.38151e+06   -1.30952e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10867e+02   -2.11192e+02    4.77245e+01    3.99255e-06

           Step           Time
       10220000    20440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38622e+03    1.82166e+04    1.24697e+04    1.02241e+03   -2.82002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56146e+03    1.04409e+05    2.79140e+05   -1.71897e+04   -2.15206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20966e+04   -1.73276e+06    3.48420e+05   -1.38434e+06   -1.30955e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12694e+02   -2.12002e+02   -8.10160e+01    4.18049e-06

           Step           Time
       10225000    20450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02746e+03    1.84080e+04    1.24700e+04    1.06750e+03   -2.90491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52239e+03    1.03992e+05    2.78940e+05   -1.71550e+04   -2.14577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21244e+04   -1.72628e+06    3.48751e+05   -1.37753e+06   -1.30949e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12990e+02   -2.11148e+02   -1.72645e+01    4.06345e-06

           Step           Time
       10230000    20460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66363e+03    1.79197e+04    1.24616e+04    1.11685e+03   -2.76379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58110e+03    1.04658e+05    2.81376e+05   -1.71796e+04   -2.15359e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22137e+04   -1.73154e+06    3.47907e+05   -1.38364e+06   -1.30945e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12233e+02   -2.11752e+02    1.17533e+02    4.05727e-06

           Step           Time
       10235000    20470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53998e+03    1.87909e+04    1.24001e+04    1.00841e+03   -2.76496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47387e+03    1.04339e+05    2.78900e+05   -1.71468e+04   -2.15020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20470e+04   -1.73061e+06    3.50632e+05   -1.37998e+06   -1.30943e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14679e+02   -2.10946e+02   -7.01182e+01    4.05981e-06

           Step           Time
       10240000    20480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59528e+03    1.83645e+04    1.25318e+04    1.06123e+03   -2.83129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49815e+03    1.04361e+05    2.81570e+05   -1.71538e+04   -2.15168e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21519e+04   -1.72953e+06    3.49080e+05   -1.38045e+06   -1.30937e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13285e+02   -2.11117e+02    1.20793e+02    3.92511e-06

           Step           Time
       10245000    20490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46743e+03    1.82939e+04    1.24129e+04    1.02759e+03   -2.74749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55619e+03    1.04085e+05    2.78406e+05   -1.71710e+04   -2.14868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22465e+04   -1.73010e+06    3.48667e+05   -1.38143e+06   -1.30940e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12915e+02   -2.11541e+02    9.59375e-02    4.21484e-06

           Step           Time
       10250000    20500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55228e+03    1.80619e+04    1.23530e+04    1.16174e+03   -2.75439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60724e+03    1.03873e+05    2.80417e+05   -1.72023e+04   -2.15230e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21711e+04   -1.73206e+06    3.48775e+05   -1.38329e+06   -1.30930e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13012e+02   -2.12313e+02    6.51331e+01    4.13713e-06

           Step           Time
       10255000    20510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36301e+03    1.81115e+04    1.24137e+04    1.01623e+03   -2.85144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57587e+03    1.03936e+05    2.78838e+05   -1.71766e+04   -2.14820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20731e+04   -1.72990e+06    3.48421e+05   -1.38148e+06   -1.30934e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12694e+02   -2.11678e+02    1.01206e+01    4.07189e-06

           Step           Time
       10260000    20520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45208e+03    1.84424e+04    1.24811e+04    1.09423e+03   -2.84816e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46083e+03    1.04773e+05    2.79889e+05   -1.71393e+04   -2.14865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21854e+04   -1.72786e+06    3.49573e+05   -1.37828e+06   -1.30930e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13728e+02   -2.10761e+02    2.90823e+01    4.04756e-06

           Step           Time
       10265000    20530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47939e+03    1.80493e+04    1.24169e+04    1.04025e+03   -2.81714e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60695e+03    1.04396e+05    2.76757e+05   -1.71697e+04   -2.14793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19590e+04   -1.73121e+06    3.48512e+05   -1.38270e+06   -1.30930e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12776e+02   -2.11510e+02   -4.66111e+01    4.02684e-06

           Step           Time
       10270000    20540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49655e+03    1.83846e+04    1.24468e+04    1.02748e+03   -2.71134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63414e+03    1.04702e+05    2.78743e+05   -1.71561e+04   -2.14812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22310e+04   -1.72833e+06    3.48745e+05   -1.37958e+06   -1.30920e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12985e+02   -2.11174e+02    6.61267e+00    4.09604e-06

           Step           Time
       10275000    20550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37628e+03    1.83239e+04    1.23964e+04    1.07400e+03   -2.85036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52100e+03    1.04214e+05    2.79399e+05   -1.71259e+04   -2.14774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19714e+04   -1.72844e+06    3.49259e+05   -1.37919e+06   -1.30921e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13446e+02   -2.10433e+02    5.67732e+01    4.14262e-06

           Step           Time
       10280000    20560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63997e+03    1.85645e+04    1.23786e+04    1.05272e+03   -2.63657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36980e+03    1.03929e+05    2.76482e+05   -1.71979e+04   -2.14465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20935e+04   -1.72797e+06    3.49293e+05   -1.37868e+06   -1.30916e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13477e+02   -2.12204e+02   -6.29466e+01    4.09556e-06

           Step           Time
       10285000    20570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46476e+03    1.80197e+04    1.22966e+04    1.09609e+03   -2.87614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42957e+03    1.03881e+05    2.80654e+05   -1.72025e+04   -2.15086e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22101e+04   -1.73089e+06    3.49014e+05   -1.38187e+06   -1.30915e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13226e+02   -2.12318e+02    7.51771e+01    4.09002e-06

           Step           Time
       10290000    20580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50334e+03    1.81970e+04    1.23211e+04    1.09928e+03   -2.79155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51763e+03    1.04518e+05    2.80912e+05   -1.71932e+04   -2.14952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21127e+04   -1.72832e+06    3.47682e+05   -1.38064e+06   -1.30906e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12031e+02   -2.12089e+02    6.70589e+01    4.08483e-06

           Step           Time
       10295000    20590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34074e+03    1.81774e+04    1.24418e+04    1.06068e+03   -2.78565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46103e+03    1.04313e+05    2.79513e+05   -1.71397e+04   -2.15009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21657e+04   -1.73055e+06    3.50080e+05   -1.38047e+06   -1.30910e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14183e+02   -2.10770e+02   -2.32275e+00    4.01005e-06

           Step           Time
       10300000    20600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65378e+03    1.84339e+04    1.24144e+04    1.09686e+03   -2.85383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37553e+03    1.04126e+05    2.78992e+05   -1.71487e+04   -2.14974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21394e+04   -1.73051e+06    3.49963e+05   -1.38055e+06   -1.30905e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14078e+02   -2.10993e+02   -5.64495e+01    3.98388e-06

           Step           Time
       10305000    20610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46073e+03    1.81232e+04    1.22816e+04    1.05259e+03   -2.74999e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52854e+03    1.04591e+05    2.78835e+05   -1.71917e+04   -2.14912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20469e+04   -1.73014e+06    3.51015e+05   -1.37913e+06   -1.30900e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15022e+02   -2.12051e+02    3.19224e+01    4.11835e-06

           Step           Time
       10310000    20620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48345e+03    1.85312e+04    1.22285e+04    1.03765e+03   -2.74646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48028e+03    1.04434e+05    2.79670e+05   -1.71399e+04   -2.15008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21359e+04   -1.72997e+06    3.48109e+05   -1.38186e+06   -1.30894e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12415e+02   -2.10777e+02    9.25166e+00    4.00234e-06

           Step           Time
       10315000    20630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31511e+03    1.82695e+04    1.23778e+04    1.11003e+03   -2.78433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52578e+03    1.04693e+05    2.79478e+05   -1.71705e+04   -2.14922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21913e+04   -1.72921e+06    3.49957e+05   -1.37925e+06   -1.30894e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14073e+02   -2.11529e+02    6.38741e+01    4.28910e-06

           Step           Time
       10320000    20640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69224e+03    1.81739e+04    1.25061e+04    1.08996e+03   -2.74287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54858e+03    1.04401e+05    2.80726e+05   -1.71236e+04   -2.15067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22218e+04   -1.72918e+06    3.49468e+05   -1.37971e+06   -1.30889e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13634e+02   -2.10376e+02    2.59688e+01    4.07440e-06

           Step           Time
       10325000    20650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38722e+03    1.82380e+04    1.23664e+04    1.11073e+03   -2.77787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57019e+03    1.04608e+05    2.80052e+05   -1.71781e+04   -2.15089e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21437e+04   -1.73037e+06    3.48740e+05   -1.38163e+06   -1.30882e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12981e+02   -2.11716e+02   -7.50285e+00    4.15128e-06

           Step           Time
       10330000    20660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51339e+03    1.83240e+04    1.24172e+04    1.12190e+03   -2.72723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58325e+03    1.04537e+05    2.76883e+05   -1.71750e+04   -2.14571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22628e+04   -1.72797e+06    3.49227e+05   -1.37874e+06   -1.30880e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13418e+02   -2.11638e+02   -8.85292e+00    4.17393e-06

           Step           Time
       10335000    20670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53944e+03    1.82055e+04    1.25874e+04    1.11531e+03   -2.76902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48486e+03    1.04407e+05    2.76939e+05   -1.71890e+04   -2.14755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19297e+04   -1.73030e+06    3.48532e+05   -1.38177e+06   -1.30877e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12794e+02   -2.11985e+02   -5.17501e+01    4.05837e-06

           Step           Time
       10340000    20680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42190e+03    1.83198e+04    1.23179e+04    1.16000e+03   -2.68309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47639e+03    1.04570e+05    2.81186e+05   -1.71101e+04   -2.15126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22502e+04   -1.72935e+06    3.48567e+05   -1.38079e+06   -1.30873e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12825e+02   -2.10046e+02    1.79106e+01    4.07663e-06

           Step           Time
       10345000    20690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49751e+03    1.85131e+04    1.25342e+04    1.03314e+03   -2.80965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47867e+03    1.03998e+05    2.80296e+05   -1.71702e+04   -2.14903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22387e+04   -1.72842e+06    3.49549e+05   -1.37887e+06   -1.30871e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13706e+02   -2.11522e+02    7.05166e+01    4.15154e-06

           Step           Time
       10350000    20700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59526e+03    1.79920e+04    1.25012e+04    1.13527e+03   -2.82244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44765e+03    1.04506e+05    2.79257e+05   -1.71926e+04   -2.14854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21021e+04   -1.72902e+06    3.49467e+05   -1.37955e+06   -1.30866e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13633e+02   -2.12073e+02    3.95103e+01    4.16438e-06

           Step           Time
       10355000    20710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60734e+03    1.83627e+04    1.24400e+04    1.07498e+03   -2.75326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53174e+03    1.03876e+05    2.80667e+05   -1.71617e+04   -2.15016e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19213e+04   -1.72960e+06    3.50688e+05   -1.37891e+06   -1.30867e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14729e+02   -2.11313e+02    9.71442e+01    3.95797e-06

Writing checkpoint, step 10355100 at Thu Dec  7 08:27:56 2023


           Step           Time
       10360000    20720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58142e+03    1.81156e+04    1.25242e+04    1.08274e+03   -2.74953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52660e+03    1.04378e+05    2.76991e+05   -1.71492e+04   -2.14941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20543e+04   -1.73205e+06    3.49166e+05   -1.38289e+06   -1.30860e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13363e+02   -2.11005e+02   -1.03128e+02    4.10812e-06

           Step           Time
       10365000    20730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48858e+03    1.86778e+04    1.25294e+04    1.08967e+03   -2.79834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49382e+03    1.04475e+05    2.79870e+05   -1.71959e+04   -2.15141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22181e+04   -1.73056e+06    3.48943e+05   -1.38162e+06   -1.30855e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13163e+02   -2.12153e+02    8.12565e+01    4.01526e-06

           Step           Time
       10370000    20740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45246e+03    1.82790e+04    1.22961e+04    1.09169e+03   -2.75239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51619e+03    1.04380e+05    2.79484e+05   -1.71699e+04   -2.15110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21137e+04   -1.73141e+06    3.48374e+05   -1.38304e+06   -1.30853e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12652e+02   -2.11514e+02    4.49943e+01    4.10030e-06

           Step           Time
       10375000    20750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75381e+03    1.84788e+04    1.23657e+04    1.05411e+03   -2.88009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61312e+03    1.04359e+05    2.79171e+05   -1.71774e+04   -2.14893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20504e+04   -1.72914e+06    3.49987e+05   -1.37916e+06   -1.30851e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14099e+02   -2.11699e+02    3.75308e+01    4.02144e-06

           Step           Time
       10380000    20760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50302e+03    1.81611e+04    1.22960e+04    1.11243e+03   -2.65701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56150e+03    1.04285e+05    2.77020e+05   -1.71221e+04   -2.14653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20236e+04   -1.72935e+06    3.49218e+05   -1.38013e+06   -1.30850e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13409e+02   -2.10340e+02   -9.60211e+01    4.07863e-06

           Step           Time
       10385000    20770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77153e+03    1.84402e+04    1.24810e+04    1.14244e+03   -2.74960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50046e+03    1.04401e+05    2.80767e+05   -1.71931e+04   -2.14911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22497e+04   -1.72730e+06    3.48612e+05   -1.37869e+06   -1.30839e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12866e+02   -2.12086e+02    1.00304e+02    3.99020e-06

           Step           Time
       10390000    20780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43301e+03    1.85325e+04    1.22581e+04    1.04032e+03   -2.71304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54097e+03    1.04886e+05    2.78563e+05   -1.71477e+04   -2.14572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21868e+04   -1.72614e+06    3.48296e+05   -1.37784e+06   -1.30841e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12582e+02   -2.10967e+02   -7.25891e+01    4.09707e-06

           Step           Time
       10395000    20790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68628e+03    1.81707e+04    1.22732e+04    1.10061e+03   -2.80014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38263e+03    1.03964e+05    2.80230e+05   -1.71741e+04   -2.15211e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19886e+04   -1.73229e+06    3.46467e+05   -1.38583e+06   -1.30836e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10940e+02   -2.11618e+02   -2.97199e+01    3.93011e-06

           Step           Time
       10400000    20800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60659e+03    1.80960e+04    1.24270e+04    1.06998e+03   -2.71181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44348e+03    1.03643e+05    2.78176e+05   -1.71861e+04   -2.14818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20497e+04   -1.73056e+06    3.50266e+05   -1.38030e+06   -1.30835e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14350e+02   -2.11913e+02   -4.03148e+01    4.07801e-06

           Step           Time
       10405000    20810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84046e+03    1.80641e+04    1.23859e+04    1.10085e+03   -2.84809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37236e+03    1.04442e+05    2.80837e+05   -1.71912e+04   -2.15133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21091e+04   -1.73022e+06    3.48888e+05   -1.38133e+06   -1.30830e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13113e+02   -2.12038e+02    7.70200e+00    4.08028e-06

           Step           Time
       10410000    20820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68249e+03    1.80790e+04    1.24076e+04    1.15157e+03   -2.87217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53507e+03    1.04854e+05    2.78034e+05   -1.71473e+04   -2.14559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21414e+04   -1.72672e+06    3.48613e+05   -1.37811e+06   -1.30832e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12866e+02   -2.10959e+02    3.98582e+00    4.20173e-06

           Step           Time
       10415000    20830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33514e+03    1.81935e+04    1.24153e+04    1.09657e+03   -2.80125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63760e+03    1.04637e+05    2.80435e+05   -1.71841e+04   -2.15046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20539e+04   -1.72964e+06    3.50872e+05   -1.37877e+06   -1.30826e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14894e+02   -2.11863e+02    1.01620e+02    3.96590e-06

           Step           Time
       10420000    20840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56875e+03    1.79460e+04    1.22379e+04    1.01350e+03   -2.80888e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48210e+03    1.04360e+05    2.78966e+05   -1.71945e+04   -2.15036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21694e+04   -1.73162e+06    3.46795e+05   -1.38482e+06   -1.30825e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11235e+02   -2.12120e+02   -1.57468e+01    4.10136e-06

           Step           Time
       10425000    20850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30484e+03    1.85256e+04    1.23780e+04    1.09451e+03   -2.77772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50638e+03    1.04781e+05    2.78247e+05   -1.71868e+04   -2.14959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21126e+04   -1.73061e+06    3.49215e+05   -1.38139e+06   -1.30818e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13407e+02   -2.11929e+02   -6.00587e+00    4.01065e-06

           Step           Time
       10430000    20860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56347e+03    1.81143e+04    1.24891e+04    1.13169e+03   -2.86115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45676e+03    1.04233e+05    2.81400e+05   -1.71779e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22483e+04   -1.73266e+06    3.49685e+05   -1.38298e+06   -1.30819e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13829e+02   -2.11710e+02    7.13759e+01    4.10289e-06

           Step           Time
       10435000    20870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57711e+03    1.79178e+04    1.22012e+04    1.07131e+03   -2.84423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57331e+03    1.04793e+05    2.76268e+05   -1.71652e+04   -2.14700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20300e+04   -1.73057e+06    3.49268e+05   -1.38131e+06   -1.30818e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13454e+02   -2.11399e+02   -2.01858e+02    3.99342e-06

           Step           Time
       10440000    20880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27721e+03    1.82702e+04    1.24591e+04    1.09143e+03   -2.86126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52992e+03    1.04600e+05    2.81749e+05   -1.71292e+04   -2.15242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21805e+04   -1.73025e+06    3.49551e+05   -1.38070e+06   -1.30810e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13709e+02   -2.10515e+02    1.36906e+02    3.99360e-06

           Step           Time
       10445000    20890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53169e+03    1.82822e+04    1.23663e+04    1.08273e+03   -2.84838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53547e+03    1.04482e+05    2.77757e+05   -1.71191e+04   -2.14660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21685e+04   -1.72836e+06    3.49734e+05   -1.37863e+06   -1.30808e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13872e+02   -2.10265e+02   -5.33601e+01    4.14793e-06

           Step           Time
       10450000    20900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50382e+03    1.84701e+04    1.23691e+04    1.07532e+03   -2.78587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52830e+03    1.04183e+05    2.81510e+05   -1.71673e+04   -2.15264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21897e+04   -1.73076e+06    3.49436e+05   -1.38133e+06   -1.30805e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13605e+02   -2.11451e+02    6.93825e+01    4.12506e-06

           Step           Time
       10455000    20910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47301e+03    1.78248e+04    1.23916e+04    1.05903e+03   -2.70820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48101e+03    1.04016e+05    2.78888e+05   -1.71652e+04   -2.14948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21931e+04   -1.73103e+06    3.47721e+05   -1.38331e+06   -1.30801e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12066e+02   -2.11397e+02   -4.08929e+01    4.07034e-06

           Step           Time
       10460000    20920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64488e+03    1.85819e+04    1.25011e+04    1.09183e+03   -2.75850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.30270e+03    1.04268e+05    2.78376e+05   -1.71289e+04   -2.14786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22111e+04   -1.72877e+06    3.48143e+05   -1.38063e+06   -1.30796e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12445e+02   -2.10506e+02   -9.69546e+01    4.06762e-06

           Step           Time
       10465000    20930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45708e+03    1.85617e+04    1.24474e+04    1.11227e+03   -2.71451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45399e+03    1.04233e+05    2.75539e+05   -1.71209e+04   -2.14338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21068e+04   -1.72731e+06    3.48351e+05   -1.37896e+06   -1.30790e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12631e+02   -2.10310e+02   -1.81899e+02    4.07905e-06

           Step           Time
       10470000    20940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38065e+03    1.82192e+04    1.23971e+04    1.13742e+03   -2.79924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49687e+03    1.04452e+05    2.79956e+05   -1.71587e+04   -2.15325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21278e+04   -1.73304e+06    3.49020e+05   -1.38402e+06   -1.30792e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13232e+02   -2.11237e+02   -1.22522e+01    4.10910e-06

           Step           Time
       10475000    20950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47010e+03    1.84177e+04    1.24524e+04    1.03146e+03   -2.85153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49314e+03    1.04364e+05    2.79577e+05   -1.71974e+04   -2.15136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21029e+04   -1.73150e+06    3.49530e+05   -1.38196e+06   -1.30788e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13690e+02   -2.12190e+02    4.20257e+01    4.14483e-06

           Step           Time
       10480000    20960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45583e+03    1.86733e+04    1.23833e+04    1.05976e+03   -2.81984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39990e+03    1.04083e+05    2.80996e+05   -1.71823e+04   -2.15035e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21371e+04   -1.72916e+06    3.50097e+05   -1.37907e+06   -1.30786e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14198e+02   -2.11818e+02    7.63987e+01    4.36971e-06

           Step           Time
       10485000    20970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41304e+03    1.82906e+04    1.26016e+04    1.06476e+03   -2.83938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50816e+03    1.05076e+05    2.78069e+05   -1.71661e+04   -2.14951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22031e+04   -1.73029e+06    3.49712e+05   -1.38058e+06   -1.30779e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13853e+02   -2.11421e+02   -4.06557e+01    3.94865e-06

           Step           Time
       10490000    20980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50239e+03    1.86200e+04    1.26108e+04    1.09097e+03   -2.86640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45203e+03    1.04563e+05    2.77148e+05   -1.71436e+04   -2.14671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21917e+04   -1.72855e+06    3.49573e+05   -1.37897e+06   -1.30778e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13728e+02   -2.10868e+02   -1.03014e+02    4.07097e-06

           Step           Time
       10495000    20990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67158e+03    1.84069e+04    1.24931e+04    1.10369e+03   -2.84149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50012e+03    1.04296e+05    2.78288e+05   -1.71385e+04   -2.14714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21818e+04   -1.72818e+06    3.49407e+05   -1.37877e+06   -1.30773e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13579e+02   -2.10742e+02   -2.25179e+01    3.95111e-06

           Step           Time
       10500000    21000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68194e+03    1.79869e+04    1.24431e+04    1.12613e+03   -2.72181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46505e+03    1.04805e+05    2.79125e+05   -1.71734e+04   -2.14651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22969e+04   -1.72647e+06    3.49661e+05   -1.37681e+06   -1.30772e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13807e+02   -2.11599e+02    1.48655e+01    4.13523e-06

           Step           Time
       10505000    21010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54616e+03    1.82856e+04    1.23659e+04    1.08760e+03   -2.79670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53415e+03    1.03933e+05    2.78676e+05   -1.71404e+04   -2.14866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20845e+04   -1.73008e+06    3.48974e+05   -1.38111e+06   -1.30771e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13190e+02   -2.10788e+02   -6.69077e+01    3.85413e-06

           Step           Time
       10510000    21020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43012e+03    1.86166e+04    1.25457e+04    1.09228e+03   -2.85488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41634e+03    1.04020e+05    2.81397e+05   -1.71523e+04   -2.15158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22772e+04   -1.72980e+06    3.48894e+05   -1.38090e+06   -1.30766e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13119e+02   -2.11081e+02    9.73499e+01    4.06967e-06

           Step           Time
       10515000    21030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72829e+03    1.80844e+04    1.22955e+04    1.14448e+03   -2.78425e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42084e+03    1.04297e+05    2.78122e+05   -1.71317e+04   -2.14617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22131e+04   -1.72778e+06    3.48780e+05   -1.37900e+06   -1.30767e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13017e+02   -2.10574e+02   -7.57974e+01    3.98992e-06

           Step           Time
       10520000    21040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49319e+03    1.81629e+04    1.24293e+04    1.02752e+03   -2.90200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48037e+03    1.04662e+05    2.80745e+05   -1.71737e+04   -2.15360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21448e+04   -1.73253e+06    3.48650e+05   -1.38388e+06   -1.30761e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12900e+02   -2.11607e+02    2.15933e+01    4.12000e-06

           Step           Time
       10525000    21050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59200e+03    1.82232e+04    1.22659e+04    9.79209e+02   -2.80467e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50826e+03    1.04487e+05    2.81081e+05   -1.71991e+04   -2.15156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21081e+04   -1.73032e+06    3.48472e+05   -1.38185e+06   -1.30755e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12740e+02   -2.12234e+02    9.13470e+01    3.97748e-06

           Step           Time
       10530000    21060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62724e+03    1.82343e+04    1.24343e+04    1.16494e+03   -2.77860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50538e+03    1.04364e+05    2.81411e+05   -1.71598e+04   -2.15184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22923e+04   -1.72974e+06    3.48311e+05   -1.38143e+06   -1.30754e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12596e+02   -2.11266e+02    1.07427e+02    4.05910e-06

           Step           Time
       10535000    21070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62601e+03    1.81576e+04    1.25004e+04    1.04153e+03   -2.83227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57843e+03    1.04422e+05    2.77957e+05   -1.71572e+04   -2.14753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19971e+04   -1.72923e+06    3.48149e+05   -1.38109e+06   -1.30753e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12450e+02   -2.11201e+02   -3.43237e+01    4.10359e-06

           Step           Time
       10540000    21080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45396e+03    1.79309e+04    1.23936e+04    1.08528e+03   -2.86435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42019e+03    1.04157e+05    2.78453e+05   -1.71662e+04   -2.14863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20929e+04   -1.73067e+06    3.48132e+05   -1.38254e+06   -1.30755e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12435e+02   -2.11422e+02   -5.88221e+01    4.01582e-06

           Step           Time
       10545000    21090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49955e+03    1.83267e+04    1.24049e+04    1.06784e+03   -2.75294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56375e+03    1.04699e+05    2.78721e+05   -1.71351e+04   -2.14992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22031e+04   -1.73033e+06    3.49917e+05   -1.38041e+06   -1.30746e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14036e+02   -2.10658e+02   -4.76215e+01    4.16683e-06

           Step           Time
       10550000    21100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53553e+03    1.85086e+04    1.23998e+04    1.07505e+03   -2.83114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42994e+03    1.04101e+05    2.82430e+05   -1.71854e+04   -2.15327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20364e+04   -1.73077e+06    3.50320e+05   -1.38045e+06   -1.30746e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14399e+02   -2.11897e+02    1.07083e+02    4.19408e-06

           Step           Time
       10555000    21110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55018e+03    1.82630e+04    1.22570e+04    1.12081e+03   -2.79484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49855e+03    1.04370e+05    2.76777e+05   -1.71866e+04   -2.14890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21590e+04   -1.73188e+06    3.49934e+05   -1.38195e+06   -1.30744e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14052e+02   -2.11926e+02   -4.74501e+01    4.08898e-06

           Step           Time
       10560000    21120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53856e+03    1.79456e+04    1.24102e+04    1.16934e+03   -2.82191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53524e+03    1.04798e+05    2.79675e+05   -1.71821e+04   -2.15065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20298e+04   -1.73055e+06    3.48707e+05   -1.38184e+06   -1.30742e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12951e+02   -2.11814e+02   -3.00312e-01    4.29827e-06

           Step           Time
       10565000    21130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63255e+03    1.83383e+04    1.24372e+04    1.08463e+03   -2.78563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56905e+03    1.04157e+05    2.78242e+05   -1.71740e+04   -2.14740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21361e+04   -1.72877e+06    3.48974e+05   -1.37979e+06   -1.30733e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13191e+02   -2.11615e+02    4.03102e+01    4.05044e-06

           Step           Time
       10570000    21140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50531e+03    1.81278e+04    1.23646e+04    1.07681e+03   -2.84064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46128e+03    1.04149e+05    2.80170e+05   -1.71699e+04   -2.15044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22253e+04   -1.73037e+06    3.49119e+05   -1.38125e+06   -1.30737e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13321e+02   -2.11514e+02    2.14231e+01    4.06327e-06

           Step           Time
       10575000    21150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37911e+03    1.82524e+04    1.24908e+04    1.08053e+03   -2.77913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43747e+03    1.04420e+05    2.79055e+05   -1.71393e+04   -2.14983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21871e+04   -1.73045e+06    3.49633e+05   -1.38082e+06   -1.30735e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13782e+02   -2.10762e+02   -2.78722e+01    4.04377e-06

           Step           Time
       10580000    21160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34868e+03    1.82801e+04    1.23808e+04    1.07168e+03   -2.75939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55618e+03    1.04608e+05    2.79385e+05   -1.71639e+04   -2.15101e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20825e+04   -1.73122e+06    3.48604e+05   -1.38262e+06   -1.30729e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12859e+02   -2.11367e+02    3.05008e+01    4.01391e-06

           Step           Time
       10585000    21170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64401e+03    1.81503e+04    1.25203e+04    1.03547e+03   -2.86773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49044e+03    1.04734e+05    2.80020e+05   -1.71808e+04   -2.15146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20558e+04   -1.73086e+06    3.48217e+05   -1.38264e+06   -1.30723e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12511e+02   -2.11782e+02    6.50799e+01    4.07084e-06

           Step           Time
       10590000    21180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74356e+03    1.79326e+04    1.23984e+04    1.10910e+03   -2.84613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47759e+03    1.04164e+05    2.77557e+05   -1.71220e+04   -2.14651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19699e+04   -1.72912e+06    3.49785e+05   -1.37934e+06   -1.30726e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13919e+02   -2.10337e+02   -1.12116e+02    4.15584e-06

           Step           Time
       10595000    21190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40724e+03    1.82231e+04    1.23817e+04    1.09910e+03   -2.69135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56996e+03    1.04769e+05    2.79669e+05   -1.71822e+04   -2.15022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21690e+04   -1.72980e+06    3.49653e+05   -1.38015e+06   -1.30721e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13800e+02   -2.11816e+02    1.24256e+02    4.17346e-06

           Step           Time
       10600000    21200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45992e+03    1.84237e+04    1.24059e+04    1.15432e+03   -2.86279e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51634e+03    1.04522e+05    2.79782e+05   -1.71795e+04   -2.15087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21699e+04   -1.73048e+06    3.49672e+05   -1.38080e+06   -1.30717e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13817e+02   -2.11751e+02    5.40473e+01    4.16075e-06

           Step           Time
       10605000    21210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63129e+03    1.79992e+04    1.26236e+04    1.07888e+03   -2.84860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42438e+03    1.04082e+05    2.79104e+05   -1.72016e+04   -2.15101e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21821e+04   -1.73194e+06    3.48413e+05   -1.38352e+06   -1.30715e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12687e+02   -2.12294e+02   -7.98814e+01    4.01674e-06

           Step           Time
       10610000    21220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71316e+03    1.85868e+04    1.24087e+04    1.06117e+03   -2.88797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54409e+03    1.04116e+05    2.77995e+05   -1.72023e+04   -2.14772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19968e+04   -1.72939e+06    3.51263e+05   -1.37812e+06   -1.30713e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15245e+02   -2.12311e+02    3.71482e+01    4.24436e-06

           Step           Time
       10615000    21230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61033e+03    1.81649e+04    1.24489e+04    1.06844e+03   -2.74633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45899e+03    1.04622e+05    2.80820e+05   -1.71316e+04   -2.15190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20587e+04   -1.73053e+06    3.50384e+05   -1.38014e+06   -1.30713e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14456e+02   -2.10572e+02    5.07079e+01    4.04687e-06

           Step           Time
       10620000    21240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56174e+03    1.81114e+04    1.26423e+04    1.03563e+03   -2.75632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59197e+03    1.04224e+05    2.78667e+05   -1.71414e+04   -2.14903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22667e+04   -1.72983e+06    3.47440e+05   -1.38239e+06   -1.30705e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11814e+02   -2.10812e+02   -1.30873e+01    4.22081e-06

           Step           Time
       10625000    21250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68715e+03    1.83678e+04    1.24903e+04    1.13799e+03   -2.71587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44758e+03    1.04425e+05    2.78336e+05   -1.71665e+04   -2.14568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22204e+04   -1.72645e+06    3.48938e+05   -1.37752e+06   -1.30705e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13158e+02   -2.11431e+02   -2.55595e+01    4.21144e-06

           Step           Time
       10630000    21260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67483e+03    1.86793e+04    1.24106e+04    1.07210e+03   -2.82679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46400e+03    1.04253e+05    2.78498e+05   -1.71806e+04   -2.14564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21241e+04   -1.72647e+06    3.49418e+05   -1.37705e+06   -1.30695e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13589e+02   -2.11776e+02    3.98369e+01    4.15805e-06

           Step           Time
       10635000    21270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47028e+03    1.81617e+04    1.24548e+04    1.04138e+03   -2.79347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47668e+03    1.04469e+05    2.77650e+05   -1.71173e+04   -2.14752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19827e+04   -1.72973e+06    3.47156e+05   -1.38257e+06   -1.30698e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11559e+02   -2.10222e+02   -1.04996e+02    4.18454e-06

           Step           Time
       10640000    21280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67790e+03    1.81809e+04    1.24111e+04    1.08706e+03   -2.79339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46427e+03    1.04322e+05    2.81198e+05   -1.71420e+04   -2.15302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21230e+04   -1.73149e+06    3.48919e+05   -1.38257e+06   -1.30690e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13141e+02   -2.10828e+02   -4.73997e+00    3.96289e-06

           Step           Time
       10645000    21290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34624e+03    1.84506e+04    1.24539e+04    1.09145e+03   -2.77766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57499e+03    1.04405e+05    2.77174e+05   -1.71357e+04   -2.14559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21711e+04   -1.72783e+06    3.49395e+05   -1.37844e+06   -1.30689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13568e+02   -2.10672e+02   -3.15140e+01    4.16929e-06

           Step           Time
       10650000    21300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54108e+03    1.80836e+04    1.25847e+04    1.10737e+03   -2.76951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44917e+03    1.04972e+05    2.78634e+05   -1.72164e+04   -2.14996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21040e+04   -1.73047e+06    3.48596e+05   -1.38187e+06   -1.30684e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12852e+02   -2.12660e+02    4.80738e+01    3.94682e-06

           Step           Time
       10655000    21310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46219e+03    1.86206e+04    1.25207e+04    1.10664e+03   -2.83589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60757e+03    1.04726e+05    2.78330e+05   -1.71533e+04   -2.14802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20729e+04   -1.72856e+06    3.49567e+05   -1.37899e+06   -1.30681e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13722e+02   -2.11107e+02    2.97824e+01    4.16942e-06

           Step           Time
       10660000    21320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62521e+03    1.77401e+04    1.24434e+04    1.03890e+03   -2.73266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51745e+03    1.04367e+05    2.81731e+05   -1.72309e+04   -2.15315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21978e+04   -1.73145e+06    3.48138e+05   -1.38331e+06   -1.30679e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12440e+02   -2.13017e+02    1.34915e+02    4.01552e-06

           Step           Time
       10665000    21330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55311e+03    1.79475e+04    1.25283e+04    1.16731e+03   -2.87982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55252e+03    1.04018e+05    2.79961e+05   -1.71680e+04   -2.14996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20332e+04   -1.73025e+06    3.48654e+05   -1.38159e+06   -1.30679e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12904e+02   -2.11467e+02    8.23735e+01    4.04279e-06

           Step           Time
       10670000    21340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65764e+03    1.79725e+04    1.25478e+04    1.14885e+03   -2.75219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58831e+03    1.04350e+05    2.81248e+05   -1.71715e+04   -2.15402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21613e+04   -1.73227e+06    3.49782e+05   -1.38249e+06   -1.30672e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13915e+02   -2.11553e+02    7.94143e+01    4.04717e-06

           Step           Time
       10675000    21350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42438e+03    1.84918e+04    1.27373e+04    1.12131e+03   -2.93238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40683e+03    1.04214e+05    2.79048e+05   -1.71502e+04   -2.14787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20092e+04   -1.72849e+06    3.49130e+05   -1.37936e+06   -1.30670e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13330e+02   -2.11031e+02   -2.36174e+01    4.09593e-06

           Step           Time
       10680000    21360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47491e+03    1.81848e+04    1.24025e+04    1.10486e+03   -2.66076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48191e+03    1.04577e+05    2.78646e+05   -1.71503e+04   -2.14854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21457e+04   -1.72933e+06    3.49384e+05   -1.37995e+06   -1.30665e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13559e+02   -2.11031e+02   -1.24156e+01    4.20388e-06

           Step           Time
       10685000    21370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54724e+03    1.78470e+04    1.23294e+04    9.80265e+02   -2.79549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51542e+03    1.04371e+05    2.77990e+05   -1.71271e+04   -2.14823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20913e+04   -1.73048e+06    3.45672e+05   -1.38481e+06   -1.30666e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10227e+02   -2.10461e+02   -7.69254e+01    3.98565e-06

           Step           Time
       10690000    21380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63005e+03    1.82233e+04    1.25843e+04    1.11637e+03   -2.91431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49537e+03    1.04661e+05    2.77145e+05   -1.71605e+04   -2.14839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19248e+04   -1.73068e+06    3.48250e+05   -1.38243e+06   -1.30665e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12541e+02   -2.11283e+02   -1.16281e+02    4.10580e-06

           Step           Time
       10695000    21390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69626e+03    1.83725e+04    1.24755e+04    1.01150e+03   -2.78466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46514e+03    1.04046e+05    2.79157e+05   -1.71740e+04   -2.15066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21772e+04   -1.73122e+06    3.48656e+05   -1.38256e+06   -1.30658e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12905e+02   -2.11616e+02   -5.92889e+01    4.09709e-06

           Step           Time
       10700000    21400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46687e+03    1.81658e+04    1.22100e+04    1.08133e+03   -2.70341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47096e+03    1.04926e+05    2.77132e+05   -1.71680e+04   -2.14621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21699e+04   -1.72846e+06    3.50286e+05   -1.37818e+06   -1.30659e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14368e+02   -2.11468e+02   -2.23607e+01    4.15633e-06

           Step           Time
       10705000    21410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71282e+03    1.84953e+04    1.24940e+04    1.08701e+03   -2.90003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46657e+03    1.04324e+05    2.78694e+05   -1.71824e+04   -2.15048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21361e+04   -1.73115e+06    3.49420e+05   -1.38173e+06   -1.30650e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13591e+02   -2.11822e+02   -3.09241e+01    4.01865e-06

           Step           Time
       10710000    21420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54209e+03    1.82755e+04    1.23584e+04    1.10305e+03   -2.77445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48295e+03    1.04199e+05    2.78624e+05   -1.71459e+04   -2.14898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22272e+04   -1.73009e+06    3.48466e+05   -1.38163e+06   -1.30648e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12735e+02   -2.10925e+02   -4.91285e+01    3.99620e-06

           Step           Time
       10715000    21430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36531e+03    1.81822e+04    1.24350e+04    1.08533e+03   -2.85646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47889e+03    1.04502e+05    2.80929e+05   -1.72030e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21272e+04   -1.73143e+06    3.50366e+05   -1.38106e+06   -1.30648e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14440e+02   -2.12328e+02    1.20051e+02    4.14574e-06

           Step           Time
       10720000    21440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84029e+03    1.81055e+04    1.24975e+04    1.11122e+03   -2.75833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37078e+03    1.04084e+05    2.77675e+05   -1.71671e+04   -2.14712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21467e+04   -1.72922e+06    3.48063e+05   -1.38115e+06   -1.30640e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12373e+02   -2.11444e+02   -8.66703e+01    4.04587e-06

           Step           Time
       10725000    21450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77176e+03    1.85344e+04    1.23337e+04    1.05707e+03   -2.85032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45036e+03    1.04398e+05    2.75843e+05   -1.71413e+04   -2.14380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21261e+04   -1.72728e+06    3.49664e+05   -1.37762e+06   -1.30637e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13810e+02   -2.10812e+02   -8.72655e+01    4.26851e-06

           Step           Time
       10730000    21460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71153e+03    1.82890e+04    1.24285e+04    1.08655e+03   -2.73796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50974e+03    1.04707e+05    2.80679e+05   -1.71712e+04   -2.15088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20641e+04   -1.72932e+06    3.49392e+05   -1.37992e+06   -1.30636e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13566e+02   -2.11546e+02    8.05918e+01    4.08512e-06

           Step           Time
       10735000    21470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65005e+03    1.86999e+04    1.23719e+04    1.08356e+03   -2.71837e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54357e+03    1.04346e+05    2.79072e+05   -1.71196e+04   -2.14764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22193e+04   -1.72749e+06    3.49083e+05   -1.37841e+06   -1.30627e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13289e+02   -2.10277e+02   -9.13901e+00    4.09304e-06

           Step           Time
       10740000    21480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60468e+03    1.81934e+04    1.25995e+04    1.14134e+03   -2.80961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47840e+03    1.04758e+05    2.78712e+05   -1.71333e+04   -2.14893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19792e+04   -1.72941e+06    3.49697e+05   -1.37971e+06   -1.30626e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13840e+02   -2.10615e+02   -1.81823e+01    4.00323e-06

           Step           Time
       10745000    21490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39330e+03    1.81481e+04    1.26209e+04    1.05687e+03   -2.92234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65875e+03    1.05085e+05    2.77835e+05   -1.71694e+04   -2.14875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20442e+04   -1.73000e+06    3.48925e+05   -1.38108e+06   -1.30621e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13146e+02   -2.11502e+02    2.52762e+01    3.96229e-06

           Step           Time
       10750000    21500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60061e+03    1.84539e+04    1.24269e+04    1.13947e+03   -2.79540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39890e+03    1.04475e+05    2.77484e+05   -1.71918e+04   -2.14765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21125e+04   -1.72954e+06    3.50352e+05   -1.37919e+06   -1.30622e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14427e+02   -2.12054e+02   -5.76080e+00    4.13429e-06

           Step           Time
       10755000    21510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61427e+03    1.82082e+04    1.25476e+04    1.10379e+03   -2.86702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54012e+03    1.04522e+05    2.81958e+05   -1.71933e+04   -2.15351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19599e+04   -1.73111e+06    3.49166e+05   -1.38195e+06   -1.30615e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13363e+02   -2.12090e+02    1.54488e+02    3.98365e-06

           Step           Time
       10760000    21520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58739e+03    1.82348e+04    1.24843e+04    1.17966e+03   -2.79554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50979e+03    1.04297e+05    2.82146e+05   -1.71469e+04   -2.15237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20734e+04   -1.72980e+06    3.48429e+05   -1.38137e+06   -1.30612e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12701e+02   -2.10949e+02    1.12941e+02    4.06132e-06

           Step           Time
       10765000    21530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58153e+03    1.80572e+04    1.24097e+04    1.09514e+03   -2.83756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48438e+03    1.04240e+05    2.77432e+05   -1.71501e+04   -2.14758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21432e+04   -1.73013e+06    3.48818e+05   -1.38131e+06   -1.30613e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13050e+02   -2.11026e+02   -1.19674e+02    4.11156e-06

           Step           Time
       10770000    21540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46677e+03    1.81887e+04    1.23463e+04    1.04292e+03   -2.87024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54088e+03    1.04710e+05    2.79694e+05   -1.72210e+04   -2.15342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21778e+04   -1.73334e+06    3.47718e+05   -1.38562e+06   -1.30606e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12064e+02   -2.12773e+02    7.84409e+01    4.08345e-06

           Step           Time
       10775000    21550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53422e+03    1.80738e+04    1.23188e+04    1.09567e+03   -2.75126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56705e+03    1.04434e+05    2.78454e+05   -1.72297e+04   -2.15159e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21059e+04   -1.73299e+06    3.48902e+05   -1.38408e+06   -1.30601e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13126e+02   -2.12988e+02    9.71020e+00    3.89144e-06

           Step           Time
       10780000    21560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60666e+03    1.84562e+04    1.25534e+04    1.14445e+03   -2.79256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45489e+03    1.04704e+05    2.79060e+05   -1.71632e+04   -2.14682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22400e+04   -1.72656e+06    3.48844e+05   -1.37771e+06   -1.30600e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13074e+02   -2.11350e+02    3.22091e+01    4.06806e-06

           Step           Time
       10785000    21570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56505e+03    1.82038e+04    1.24051e+04    1.05473e+03   -2.83179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55109e+03    1.04845e+05    2.79446e+05   -1.71734e+04   -2.14955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21195e+04   -1.72937e+06    3.50342e+05   -1.37902e+06   -1.30598e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14418e+02   -2.11600e+02    2.88381e+01    4.13611e-06

           Step           Time
       10790000    21580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70330e+03    1.79932e+04    1.24835e+04    1.13382e+03   -2.89952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57606e+03    1.04600e+05    2.79890e+05   -1.71821e+04   -2.15107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21635e+04   -1.73061e+06    3.48373e+05   -1.38223e+06   -1.30592e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12651e+02   -2.11814e+02   -3.85408e+01    4.13685e-06

           Step           Time
       10795000    21590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53887e+03    1.81351e+04    1.25001e+04    1.11105e+03   -2.79861e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53585e+03    1.05112e+05    2.77010e+05   -1.71949e+04   -2.14794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21481e+04   -1.72985e+06    3.49642e+05   -1.38020e+06   -1.30590e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13790e+02   -2.12129e+02   -2.78187e+01    4.07633e-06

           Step           Time
       10800000    21600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39272e+03    1.81642e+04    1.23147e+04    1.08440e+03   -2.78574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40452e+03    1.04852e+05    2.79761e+05   -1.71681e+04   -2.15342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19213e+04   -1.73347e+06    3.48950e+05   -1.38452e+06   -1.30589e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13169e+02   -2.11469e+02   -2.13760e+01    4.16747e-06

           Step           Time
       10805000    21610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60833e+03    1.82158e+04    1.25511e+04    1.03338e+03   -2.83277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53993e+03    1.04671e+05    2.78606e+05   -1.71395e+04   -2.14753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20434e+04   -1.72823e+06    3.47681e+05   -1.38055e+06   -1.30585e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12030e+02   -2.10766e+02    2.52437e+01    4.09837e-06

           Step           Time
       10810000    21620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82847e+03    1.82096e+04    1.23106e+04    1.04464e+03   -2.67682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46137e+03    1.04778e+05    2.75248e+05   -1.71485e+04   -2.14497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20348e+04   -1.72888e+06    3.47160e+05   -1.38172e+06   -1.30582e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11562e+02   -2.10989e+02   -2.08883e+02    4.12589e-06

           Step           Time
       10815000    21630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36785e+03    1.81812e+04    1.22889e+04    1.09498e+03   -2.77051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51693e+03    1.04875e+05    2.79734e+05   -1.71803e+04   -2.15079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19412e+04   -1.73074e+06    3.48703e+05   -1.38204e+06   -1.30581e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12948e+02   -2.11769e+02    7.20709e+01    4.21200e-06

           Step           Time
       10820000    21640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41464e+03    1.86164e+04    1.21659e+04    1.23536e+03   -2.74843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60614e+03    1.04380e+05    2.78075e+05   -1.71571e+04   -2.14668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21455e+04   -1.72794e+06    3.49505e+05   -1.37844e+06   -1.30575e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13667e+02   -2.11200e+02   -3.10038e+01    4.20958e-06

           Step           Time
       10825000    21650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33608e+03    1.85128e+04    1.23896e+04    1.10651e+03   -2.72740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47538e+03    1.04566e+05    2.78301e+05   -1.71690e+04   -2.14736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21182e+04   -1.72845e+06    3.46798e+05   -1.38166e+06   -1.30568e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11237e+02   -2.11493e+02    4.75351e+01    4.13400e-06

           Step           Time
       10830000    21660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52141e+03    1.81877e+04    1.24404e+04    1.13384e+03   -2.84708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55631e+03    1.04388e+05    2.80059e+05   -1.71543e+04   -2.14861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19838e+04   -1.72834e+06    3.47363e+05   -1.38098e+06   -1.30570e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11745e+02   -2.11131e+02    8.91559e+01    4.20323e-06

           Step           Time
       10835000    21670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41069e+03    1.84511e+04    1.24085e+04    1.04728e+03   -2.81145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51976e+03    1.03991e+05    2.79808e+05   -1.71518e+04   -2.14910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21899e+04   -1.72924e+06    3.49808e+05   -1.37943e+06   -1.30569e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13939e+02   -2.11070e+02    5.98594e+01    4.08586e-06

           Step           Time
       10840000    21680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40564e+03    1.81603e+04    1.23470e+04    1.03981e+03   -2.78011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52543e+03    1.04700e+05    2.78957e+05   -1.71844e+04   -2.15101e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20074e+04   -1.73183e+06    3.48309e+05   -1.38353e+06   -1.30565e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12594e+02   -2.11871e+02    2.27032e+01    4.04769e-06

           Step           Time
       10845000    21690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44036e+03    1.84217e+04    1.22935e+04    1.09540e+03   -2.77743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63487e+03    1.04465e+05    2.80112e+05   -1.71739e+04   -2.15028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20830e+04   -1.72968e+06    3.49654e+05   -1.38003e+06   -1.30561e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13801e+02   -2.11612e+02    7.11454e+01    3.97787e-06

           Step           Time
       10850000    21700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58251e+03    1.88463e+04    1.25294e+04    1.05597e+03   -2.81753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57662e+03    1.04421e+05    2.80252e+05   -1.71841e+04   -2.14899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21063e+04   -1.72762e+06    3.50298e+05   -1.37732e+06   -1.30556e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14379e+02   -2.11865e+02    9.66644e+01    4.08437e-06

           Step           Time
       10855000    21710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67477e+03    1.82317e+04    1.25015e+04    1.09127e+03   -2.84578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55250e+03    1.04157e+05    2.79616e+05   -1.71637e+04   -2.14832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19648e+04   -1.72854e+06    3.48034e+05   -1.38050e+06   -1.30557e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12347e+02   -2.11362e+02    7.30302e+01    4.08149e-06

           Step           Time
       10860000    21720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77483e+03    1.84188e+04    1.26857e+04    1.15855e+03   -2.93219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46850e+03    1.04555e+05    2.78821e+05   -1.71926e+04   -2.14730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23362e+04   -1.72721e+06    3.49465e+05   -1.37774e+06   -1.30550e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13631e+02   -2.12073e+02    5.06523e+00    4.17423e-06

           Step           Time
       10865000    21730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51548e+03    1.83333e+04    1.23493e+04    1.15548e+03   -2.82445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42506e+03    1.04567e+05    2.81599e+05   -1.71749e+04   -2.15355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21507e+04   -1.73145e+06    3.48500e+05   -1.38295e+06   -1.30548e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12765e+02   -2.11637e+02    2.07464e+01    4.04085e-06

           Step           Time
       10870000    21740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58419e+03    1.83696e+04    1.26039e+04    9.71735e+02   -2.92702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64642e+03    1.04597e+05    2.79161e+05   -1.71799e+04   -2.15040e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21755e+04   -1.73039e+06    3.49010e+05   -1.38138e+06   -1.30546e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13223e+02   -2.11760e+02    5.55315e+01    3.93681e-06

           Step           Time
       10875000    21750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55871e+03    1.82253e+04    1.23349e+04    9.80902e+02   -2.80247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51784e+03    1.04407e+05    2.78381e+05   -1.71679e+04   -2.14622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19655e+04   -1.72782e+06    3.48632e+05   -1.37919e+06   -1.30543e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12883e+02   -2.11464e+02   -4.57400e+01    3.86234e-06

           Step           Time
       10880000    21760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36750e+03    1.83178e+04    1.23612e+04    1.01039e+03   -2.80536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58083e+03    1.04661e+05    2.78204e+05   -1.71697e+04   -2.14787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21137e+04   -1.72923e+06    3.47107e+05   -1.38212e+06   -1.30542e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11515e+02   -2.11509e+02   -6.93455e+00    4.13808e-06

           Step           Time
       10885000    21770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48671e+03    1.84013e+04    1.25752e+04    1.08151e+03   -2.80524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54658e+03    1.04753e+05    2.78266e+05   -1.71484e+04   -2.14803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20158e+04   -1.72885e+06    3.48991e+05   -1.37986e+06   -1.30539e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13206e+02   -2.10986e+02    5.31861e+00    4.14029e-06

           Step           Time
       10890000    21780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84889e+03    1.83448e+04    1.22168e+04    1.07983e+03   -2.71987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54601e+03    1.04810e+05    2.81331e+05   -1.71714e+04   -2.14818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22576e+04   -1.72563e+06    3.49938e+05   -1.37570e+06   -1.30534e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14056e+02   -2.11552e+02    1.52656e+02    4.02547e-06

           Step           Time
       10895000    21790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49947e+03    1.84913e+04    1.23541e+04    1.06289e+03   -2.85692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45111e+03    1.04497e+05    2.81289e+05   -1.71803e+04   -2.15322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20478e+04   -1.73156e+06    3.50102e+05   -1.38146e+06   -1.30530e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14203e+02   -2.11771e+02    9.99939e+01    4.17934e-06

           Step           Time
       10900000    21800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46574e+03    1.80524e+04    1.23101e+04    1.06968e+03   -2.80891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52585e+03    1.04993e+05    2.78875e+05   -1.71452e+04   -2.14880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21213e+04   -1.72934e+06    3.48072e+05   -1.38127e+06   -1.30527e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12381e+02   -2.10907e+02    1.35441e+01    4.17220e-06

           Step           Time
       10905000    21810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46665e+03    1.76635e+04    1.23321e+04    1.11174e+03   -2.76084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59158e+03    1.04515e+05    2.80426e+05   -1.71638e+04   -2.14887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20165e+04   -1.72868e+06    3.48708e+05   -1.37997e+06   -1.30524e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12952e+02   -2.11363e+02   -2.87852e+00    4.23571e-06

           Step           Time
       10910000    21820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46874e+03    1.80251e+04    1.22110e+04    1.02756e+03   -2.74445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50588e+03    1.04826e+05    2.75823e+05   -1.71275e+04   -2.14521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21847e+04   -1.72901e+06    3.48925e+05   -1.38008e+06   -1.30518e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13146e+02   -2.10472e+02   -1.41429e+02    4.24255e-06

           Step           Time
       10915000    21830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56994e+03    1.80535e+04    1.24912e+04    1.01366e+03   -2.87522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48391e+03    1.04529e+05    2.79198e+05   -1.71644e+04   -2.14816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22513e+04   -1.72861e+06    3.50092e+05   -1.37851e+06   -1.30519e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14194e+02   -2.11380e+02   -5.03247e+00    4.10882e-06

           Step           Time
       10920000    21840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71677e+03    1.81294e+04    1.22604e+04    1.09341e+03   -2.72910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42445e+03    1.04373e+05    2.81824e+05   -1.72288e+04   -2.15203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21042e+04   -1.73007e+06    3.47856e+05   -1.38221e+06   -1.30511e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12187e+02   -2.12967e+02    8.76797e+01    4.25840e-06

           Step           Time
       10925000    21850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43203e+03    1.83009e+04    1.24972e+04    1.05067e+03   -2.85669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62056e+03    1.04430e+05    2.78291e+05   -1.71523e+04   -2.14646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20617e+04   -1.72778e+06    3.47537e+05   -1.38025e+06   -1.30507e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11901e+02   -2.11082e+02   -3.49437e+00    4.20628e-06

           Step           Time
       10930000    21860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33287e+03    1.81477e+04    1.23604e+04    1.02884e+03   -2.76149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44258e+03    1.04583e+05    2.80720e+05   -1.71663e+04   -2.15174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20594e+04   -1.73099e+06    3.48704e+05   -1.38229e+06   -1.30508e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12949e+02   -2.11425e+02    4.66906e+01    4.15545e-06

           Step           Time
       10935000    21870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50451e+03    1.80623e+04    1.25655e+04    1.08354e+03   -2.68395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62788e+03    1.04330e+05    2.76955e+05   -1.71711e+04   -2.14658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21006e+04   -1.72920e+06    3.48725e+05   -1.38048e+06   -1.30504e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12968e+02   -2.11544e+02    5.38646e+00    4.07027e-06

           Step           Time
       10940000    21880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65670e+03    1.81045e+04    1.23228e+04    1.12000e+03   -2.69696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40432e+03    1.03826e+05    2.78779e+05   -1.71623e+04   -2.14754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21226e+04   -1.72906e+06    3.48290e+05   -1.38077e+06   -1.30501e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12577e+02   -2.11327e+02    6.95783e+00    4.11875e-06

           Step           Time
       10945000    21890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65932e+03    1.84159e+04    1.23142e+04    1.05299e+03   -2.75449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60840e+03    1.04277e+05    2.79231e+05   -1.71712e+04   -2.14905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22686e+04   -1.72915e+06    3.49513e+05   -1.37964e+06   -1.30498e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13675e+02   -2.11546e+02    5.38461e+01    4.01814e-06

           Step           Time
       10950000    21900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30931e+03    1.82490e+04    1.21269e+04    1.06779e+03   -2.78662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55497e+03    1.04343e+05    2.82241e+05   -1.71773e+04   -2.15392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22905e+04   -1.73170e+06    3.48311e+05   -1.38339e+06   -1.30498e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12596e+02   -2.11696e+02    1.48832e+02    4.20664e-06

           Step           Time
       10955000    21910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64695e+03    1.81423e+04    1.24097e+04    9.86914e+02   -2.73148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53025e+03    1.04102e+05    2.78666e+05   -1.71453e+04   -2.14907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21048e+04   -1.73036e+06    3.48513e+05   -1.38185e+06   -1.30492e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12777e+02   -2.10909e+02   -2.25267e+01    3.96274e-06

           Step           Time
       10960000    21920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48046e+03    1.81200e+04    1.24374e+04    1.12123e+03   -2.83276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45477e+03    1.04131e+05    2.76869e+05   -1.71695e+04   -2.14675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21669e+04   -1.72997e+06    3.47852e+05   -1.38212e+06   -1.30487e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12183e+02   -2.11504e+02   -1.06198e+02    4.19464e-06

           Step           Time
       10965000    21930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35404e+03    1.85561e+04    1.22347e+04    1.04679e+03   -2.71925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50880e+03    1.04158e+05    2.79377e+05   -1.71641e+04   -2.15223e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20609e+04   -1.73282e+06    3.48606e+05   -1.38421e+06   -1.30483e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12861e+02   -2.11371e+02   -3.06916e+00    4.20115e-06

           Step           Time
       10970000    21940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53982e+03    1.79764e+04    1.25021e+04    1.05720e+03   -2.74367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46483e+03    1.04615e+05    2.81715e+05   -1.71964e+04   -2.15294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20525e+04   -1.73096e+06    3.49079e+05   -1.38188e+06   -1.30484e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13285e+02   -2.12166e+02    7.99696e+01    4.05495e-06

           Step           Time
       10975000    21950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69209e+03    1.81537e+04    1.22842e+04    1.11343e+03   -2.74144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49638e+03    1.04257e+05    2.80157e+05   -1.71719e+04   -2.14981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21345e+04   -1.72943e+06    3.50540e+05   -1.37889e+06   -1.30481e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14596e+02   -2.11564e+02    2.60463e+01    4.11323e-06

           Step           Time
       10980000    21960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50098e+03    1.82552e+04    1.24362e+04    1.19732e+03   -2.78894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56378e+03    1.04926e+05    2.78696e+05   -1.71854e+04   -2.14925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20125e+04   -1.72963e+06    3.49742e+05   -1.37989e+06   -1.30478e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13880e+02   -2.11894e+02    5.46288e+01    4.14770e-06

           Step           Time
       10985000    21970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74975e+03    1.83049e+04    1.23223e+04    1.06490e+03   -2.67589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53978e+03    1.04555e+05    2.78136e+05   -1.71895e+04   -2.14809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22625e+04   -1.72902e+06    3.48724e+05   -1.38030e+06   -1.30471e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12966e+02   -2.11998e+02   -2.93615e+01    4.07505e-06

           Step           Time
       10990000    21980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60135e+03    1.82619e+04    1.21938e+04    1.03014e+03   -2.77162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46325e+03    1.04460e+05    2.80264e+05   -1.71276e+04   -2.14997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21856e+04   -1.72941e+06    3.47550e+05   -1.38186e+06   -1.30472e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11913e+02   -2.10473e+02   -1.46623e+01    4.11739e-06

           Step           Time
       10995000    21990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49371e+03    1.81454e+04    1.22867e+04    1.04009e+03   -2.86172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58916e+03    1.04474e+05    2.79840e+05   -1.71182e+04   -2.15015e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20275e+04   -1.73023e+06    3.47767e+05   -1.38247e+06   -1.30470e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12108e+02   -2.10244e+02    1.02639e+00    4.21653e-06

           Step           Time
       11000000    22000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50900e+03    1.80567e+04    1.25301e+04    1.00287e+03   -2.83917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54224e+03    1.04789e+05    2.81147e+05   -1.71803e+04   -2.15189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22456e+04   -1.73009e+06    3.49316e+05   -1.38077e+06   -1.30466e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13498e+02   -2.11771e+02    1.45928e+02    3.92280e-06

           Step           Time
       11005000    22010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54481e+03    1.86598e+04    1.23639e+04    1.06988e+03   -2.82551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49993e+03    1.03987e+05    2.78979e+05   -1.71671e+04   -2.14990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21859e+04   -1.73060e+06    3.49804e+05   -1.38080e+06   -1.30461e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13936e+02   -2.11445e+02   -1.24193e+01    4.16132e-06

           Step           Time
       11010000    22020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42124e+03    1.83434e+04    1.24742e+04    1.02046e+03   -2.78372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56317e+03    1.04486e+05    2.82999e+05   -1.71917e+04   -2.15385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21538e+04   -1.73036e+06    3.48488e+05   -1.38187e+06   -1.30461e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12754e+02   -2.12050e+02    1.39665e+02    4.13198e-06

           Step           Time
       11015000    22030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40968e+03    1.82845e+04    1.24155e+04    1.08792e+03   -2.91125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60435e+03    1.04314e+05    2.78477e+05   -1.71688e+04   -2.15059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20591e+04   -1.73202e+06    3.49001e+05   -1.38302e+06   -1.30457e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13215e+02   -2.11487e+02   -2.73272e+01    4.05521e-06

           Step           Time
       11020000    22040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60071e+03    1.86910e+04    1.23332e+04    1.10925e+03   -2.79162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51391e+03    1.04106e+05    2.79275e+05   -1.71804e+04   -2.14919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22336e+04   -1.72930e+06    3.49355e+05   -1.37994e+06   -1.30451e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13532e+02   -2.11771e+02    4.52929e+01    4.15487e-06

           Step           Time
       11025000    22050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57610e+03    1.79571e+04    1.23335e+04    1.09343e+03   -2.77990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44267e+03    1.04498e+05    2.79505e+05   -1.71228e+04   -2.15014e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22139e+04   -1.73042e+06    3.49104e+05   -1.38132e+06   -1.30448e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13307e+02   -2.10356e+02   -6.26706e+01    4.20517e-06

           Step           Time
       11030000    22060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59167e+03    1.84381e+04    1.25086e+04    1.08828e+03   -2.85938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58504e+03    1.03932e+05    2.76903e+05   -1.71776e+04   -2.14552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19916e+04   -1.72851e+06    3.48734e+05   -1.37978e+06   -1.30443e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12976e+02   -2.11705e+02   -5.55220e+01    4.27689e-06

           Step           Time
       11035000    22070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47570e+03    1.81496e+04    1.23628e+04    1.04587e+03   -2.66684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51022e+03    1.04401e+05    2.78228e+05   -1.71662e+04   -2.14880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21893e+04   -1.73027e+06    3.48638e+05   -1.38163e+06   -1.30443e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12889e+02   -2.11424e+02   -1.54070e+01    4.10012e-06

           Step           Time
       11040000    22080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51544e+03    1.83008e+04    1.23424e+04    1.03541e+03   -2.79751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51045e+03    1.04675e+05    2.76617e+05   -1.71060e+04   -2.14533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21211e+04   -1.72812e+06    3.48883e+05   -1.37923e+06   -1.30440e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13109e+02   -2.09944e+02   -1.01575e+02    3.99015e-06

           Step           Time
       11045000    22090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57439e+03    1.83891e+04    1.23660e+04    1.14474e+03   -2.76753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42736e+03    1.04150e+05    2.79553e+05   -1.71751e+04   -2.15163e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21699e+04   -1.73180e+06    3.49324e+05   -1.38247e+06   -1.30434e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13505e+02   -2.11642e+02   -3.89156e+01    4.08350e-06

           Step           Time
       11050000    22100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35146e+03    1.81988e+04    1.24134e+04    1.05436e+03   -2.73978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48752e+03    1.04703e+05    2.78649e+05   -1.71977e+04   -2.15005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21274e+04   -1.73101e+06    3.47280e+05   -1.38373e+06   -1.30431e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11670e+02   -2.12199e+02   -1.29181e+01    4.09819e-06

           Step           Time
       11055000    22110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51145e+03    1.82816e+04    1.22881e+04    1.15893e+03   -2.73045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63954e+03    1.04586e+05    2.75751e+05   -1.71197e+04   -2.14776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21363e+04   -1.73126e+06    3.49537e+05   -1.38172e+06   -1.30425e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13695e+02   -2.10281e+02   -2.05550e+02    4.02776e-06

           Step           Time
       11060000    22120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77950e+03    1.81802e+04    1.22839e+04    1.10910e+03   -2.67171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41187e+03    1.04006e+05    2.77606e+05   -1.71422e+04   -2.14836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22050e+04   -1.73059e+06    3.47161e+05   -1.38343e+06   -1.30420e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11564e+02   -2.10834e+02   -1.10832e+02    4.21765e-06

           Step           Time
       11065000    22130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34888e+03    1.80273e+04    1.23209e+04    1.00342e+03   -2.70446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58596e+03    1.04788e+05    2.80021e+05   -1.71632e+04   -2.15372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21637e+04   -1.73333e+06    3.48026e+05   -1.38530e+06   -1.30418e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12340e+02   -2.11350e+02   -2.42651e+00    3.95425e-06

           Step           Time
       11070000    22140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63590e+03    1.86497e+04    1.23132e+04    1.08931e+03   -2.75823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47350e+03    1.04187e+05    2.79060e+05   -1.71640e+04   -2.14784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21547e+04   -1.72820e+06    3.50103e+05   -1.37810e+06   -1.30417e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14203e+02   -2.11369e+02   -2.52485e+01    4.13694e-06

           Step           Time
       11075000    22150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35668e+03    1.80951e+04    1.23956e+04    1.06270e+03   -2.78707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47632e+03    1.04841e+05    2.79109e+05   -1.71609e+04   -2.15105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21923e+04   -1.73146e+06    3.48226e+05   -1.38324e+06   -1.30414e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12520e+02   -2.11292e+02   -2.96597e+01    4.11526e-06

           Step           Time
       11080000    22160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51088e+03    1.82537e+04    1.25572e+04    1.09761e+03   -2.89940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49418e+03    1.04484e+05    2.79276e+05   -1.71531e+04   -2.14886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20974e+04   -1.72914e+06    3.49141e+05   -1.38000e+06   -1.30412e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13341e+02   -2.11101e+02    2.69147e+01    4.08276e-06

           Step           Time
       11085000    22170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59206e+03    1.82973e+04    1.23479e+04    1.12504e+03   -2.80651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48915e+03    1.04523e+05    2.80544e+05   -1.71320e+04   -2.15031e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22268e+04   -1.72910e+06    3.48396e+05   -1.38071e+06   -1.30407e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12672e+02   -2.10581e+02    5.66791e+01    4.15840e-06

           Step           Time
       11090000    22180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68820e+03    1.84254e+04    1.24624e+04    1.13377e+03   -2.83915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57747e+03    1.04354e+05    2.79355e+05   -1.71651e+04   -2.14802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20550e+04   -1.72798e+06    3.49666e+05   -1.37831e+06   -1.30402e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13812e+02   -2.11395e+02    5.32342e+01    4.20913e-06

           Step           Time
       11095000    22190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60391e+03    1.85703e+04    1.23842e+04    1.08044e+03   -2.71731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43307e+03    1.04406e+05    2.80741e+05   -1.71717e+04   -2.14950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23496e+04   -1.72782e+06    3.50274e+05   -1.37754e+06   -1.30399e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14358e+02   -2.11558e+02    6.89723e+01    4.18502e-06

Writing checkpoint, step 11095500 at Thu Dec  7 08:42:56 2023


           Step           Time
       11100000    22200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44647e+03    1.84298e+04    1.23386e+04    9.94271e+02   -2.91277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43411e+03    1.04227e+05    2.81521e+05   -1.71588e+04   -2.15328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21013e+04   -1.73185e+06    3.48998e+05   -1.38286e+06   -1.30400e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13212e+02   -2.11241e+02    3.49965e+01    4.21460e-06

           Step           Time
       11105000    22210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82891e+03    1.81133e+04    1.25376e+04    1.10060e+03   -2.79635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49384e+03    1.04576e+05    2.77269e+05   -1.71458e+04   -2.14800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19618e+04   -1.73006e+06    3.49878e+05   -1.38018e+06   -1.30396e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14002e+02   -2.10922e+02   -1.14625e+02    4.24168e-06

           Step           Time
       11110000    22220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47656e+03    1.81607e+04    1.24469e+04    1.10238e+03   -2.76674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45190e+03    1.04412e+05    2.81050e+05   -1.72260e+04   -2.15354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21599e+04   -1.73228e+06    3.49105e+05   -1.38317e+06   -1.30390e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13308e+02   -2.12897e+02    6.42852e+01    4.23287e-06

           Step           Time
       11115000    22230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49315e+03    1.82619e+04    1.22533e+04    1.07804e+03   -2.84469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66179e+03    1.04791e+05    2.78955e+05   -1.71153e+04   -2.14847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22395e+04   -1.72870e+06    3.48824e+05   -1.37988e+06   -1.30386e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13056e+02   -2.10173e+02    5.22924e+01    4.08555e-06

           Step           Time
       11120000    22240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69071e+03    1.77373e+04    1.24817e+04    1.09516e+03   -2.83656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43146e+03    1.04440e+05    2.79390e+05   -1.71766e+04   -2.15302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21547e+04   -1.73361e+06    3.49397e+05   -1.38421e+06   -1.30387e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13570e+02   -2.11680e+02   -1.50612e+01    4.11898e-06

           Step           Time
       11125000    22250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43588e+03    1.81499e+04    1.24148e+04    1.16111e+03   -2.86170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54932e+03    1.04774e+05    2.81314e+05   -1.71740e+04   -2.15209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20836e+04   -1.73024e+06    3.49334e+05   -1.38091e+06   -1.30384e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13514e+02   -2.11615e+02    1.07004e+02    4.15756e-06

           Step           Time
       11130000    22260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47127e+03    1.83186e+04    1.24708e+04    1.09061e+03   -2.76639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57421e+03    1.04510e+05    2.81034e+05   -1.71718e+04   -2.14745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19199e+04   -1.72600e+06    3.48024e+05   -1.37798e+06   -1.30373e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12338e+02   -2.11561e+02    1.56526e+02    4.11996e-06

           Step           Time
       11135000    22270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58802e+03    1.85377e+04    1.24050e+04    1.06621e+03   -2.84357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51366e+03    1.04375e+05    2.80116e+05   -1.71650e+04   -2.15052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22471e+04   -1.72968e+06    3.47412e+05   -1.38227e+06   -1.30374e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11788e+02   -2.11394e+02    5.26499e+01    4.10322e-06

           Step           Time
       11140000    22280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43450e+03    1.85385e+04    1.23992e+04    1.21204e+03   -2.73037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37068e+03    1.04546e+05    2.81035e+05   -1.71608e+04   -2.15033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21630e+04   -1.72852e+06    3.47728e+05   -1.38079e+06   -1.30375e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12073e+02   -2.11290e+02    4.45409e+01    4.24416e-06

           Step           Time
       11145000    22290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39250e+03    1.82212e+04    1.23716e+04    1.07546e+03   -2.71652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49360e+03    1.04723e+05    2.80528e+05   -1.71623e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23372e+04   -1.73112e+06    3.47408e+05   -1.38371e+06   -1.30365e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11786e+02   -2.11327e+02    3.74263e+01    4.15870e-06

           Step           Time
       11150000    22300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82237e+03    1.83966e+04    1.23130e+04    9.91515e+02   -2.75072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45730e+03    1.04432e+05    2.78624e+05   -1.71513e+04   -2.14934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21162e+04   -1.73008e+06    3.47516e+05   -1.38257e+06   -1.30364e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11882e+02   -2.11056e+02   -9.43836e+01    3.97534e-06

           Step           Time
       11155000    22310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78429e+03    1.83997e+04    1.22888e+04    1.08686e+03   -2.76828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42399e+03    1.04543e+05    2.77308e+05   -1.71065e+04   -2.14612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23008e+04   -1.72786e+06    3.49862e+05   -1.37800e+06   -1.30360e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13987e+02   -2.09956e+02   -2.02123e+02    4.14543e-06

           Step           Time
       11160000    22320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50295e+03    1.80023e+04    1.25123e+04    1.02458e+03   -2.81374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59147e+03    1.04243e+05    2.79219e+05   -1.71462e+04   -2.14960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21626e+04   -1.73030e+06    3.48455e+05   -1.38185e+06   -1.30354e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12725e+02   -2.10930e+02   -1.95090e+01    4.06519e-06

           Step           Time
       11165000    22330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60068e+03    1.81995e+04    1.24171e+04    1.09038e+03   -2.76309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61450e+03    1.04841e+05    2.79424e+05   -1.71660e+04   -2.15184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21948e+04   -1.73139e+06    3.48832e+05   -1.38256e+06   -1.30352e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13063e+02   -2.11418e+02    1.81649e+01    4.18623e-06

           Step           Time
       11170000    22340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36140e+03    1.82576e+04    1.24375e+04    1.07145e+03   -2.79461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60662e+03    1.04200e+05    2.79374e+05   -1.71233e+04   -2.14951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20328e+04   -1.73008e+06    3.47710e+05   -1.38237e+06   -1.30350e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12056e+02   -2.10368e+02    1.74808e+01    4.18575e-06

           Step           Time
       11175000    22350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73619e+03    1.82099e+04    1.24688e+04    1.08619e+03   -2.89767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50461e+03    1.04554e+05    2.77171e+05   -1.71531e+04   -2.14419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22737e+04   -1.72624e+06    3.47831e+05   -1.37841e+06   -1.30345e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12165e+02   -2.11102e+02   -4.53146e+01    4.06978e-06

           Step           Time
       11180000    22360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37027e+03    1.83718e+04    1.23637e+04    1.16616e+03   -2.78649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52472e+03    1.05056e+05    2.78797e+05   -1.71558e+04   -2.14741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21560e+04   -1.72755e+06    3.50044e+05   -1.37751e+06   -1.30345e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14150e+02   -2.11167e+02    4.03101e+01    4.24205e-06

           Step           Time
       11185000    22370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45873e+03    1.80529e+04    1.23756e+04    1.02206e+03   -2.83984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56234e+03    1.04734e+05    2.79750e+05   -1.71185e+04   -2.14952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20296e+04   -1.72950e+06    3.47626e+05   -1.38187e+06   -1.30342e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11981e+02   -2.10252e+02   -6.23029e+01    3.90154e-06

           Step           Time
       11190000    22380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41789e+03    1.81253e+04    1.23661e+04    1.12514e+03   -2.69787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60939e+03    1.04601e+05    2.77147e+05   -1.71636e+04   -2.14785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20653e+04   -1.73025e+06    3.50462e+05   -1.37979e+06   -1.30340e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14526e+02   -2.11359e+02   -9.46194e+01    4.31965e-06

           Step           Time
       11195000    22390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63260e+03    1.81181e+04    1.24237e+04    1.18962e+03   -2.89101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53074e+03    1.04741e+05    2.81140e+05   -1.71617e+04   -2.15048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20156e+04   -1.72874e+06    3.48206e+05   -1.38053e+06   -1.30335e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12501e+02   -2.11313e+02    9.94995e+01    4.09541e-06

           Step           Time
       11200000    22400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43864e+03    1.85760e+04    1.24921e+04    1.00746e+03   -2.78324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46433e+03    1.04121e+05    2.79978e+05   -1.71804e+04   -2.15237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19614e+04   -1.73229e+06    3.49567e+05   -1.38273e+06   -1.30333e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13723e+02   -2.11771e+02    2.82371e+01    4.12433e-06

           Step           Time
       11205000    22410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68546e+03    1.80354e+04    1.24624e+04    1.12408e+03   -2.89604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56522e+03    1.04480e+05    2.79551e+05   -1.71742e+04   -2.15122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22488e+04   -1.73113e+06    3.47254e+05   -1.38388e+06   -1.30327e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11647e+02   -2.11621e+02   -2.96401e+01    4.12523e-06

           Step           Time
       11210000    22420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63613e+03    1.83804e+04    1.23085e+04    1.17479e+03   -2.88942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53870e+03    1.04997e+05    2.78740e+05   -1.71530e+04   -2.14750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21045e+04   -1.72766e+06    3.50312e+05   -1.37735e+06   -1.30324e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14391e+02   -2.11098e+02   -4.23937e-01    4.03211e-06

           Step           Time
       11215000    22430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54075e+03    1.80484e+04    1.25342e+04    1.16970e+03   -2.81648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43218e+03    1.04967e+05    2.79049e+05   -1.71353e+04   -2.14980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19350e+04   -1.73008e+06    3.48562e+05   -1.38152e+06   -1.30326e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12821e+02   -2.10664e+02   -1.38197e+01    4.20627e-06

           Step           Time
       11220000    22440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42476e+03    1.78466e+04    1.24769e+04    1.08139e+03   -2.86426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48049e+03    1.05240e+05    2.76641e+05   -1.71445e+04   -2.14654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19610e+04   -1.72940e+06    3.47785e+05   -1.38162e+06   -1.30318e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12123e+02   -2.10889e+02   -1.06653e+02    4.11919e-06

           Step           Time
       11225000    22450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33367e+03    1.81360e+04    1.25933e+04    1.08793e+03   -2.85179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47165e+03    1.04480e+05    2.77500e+05   -1.71547e+04   -2.14748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22905e+04   -1.72960e+06    3.47211e+05   -1.38239e+06   -1.30317e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11608e+02   -2.11140e+02   -8.19870e+01    4.19022e-06

           Step           Time
       11230000    22460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51068e+03    1.80267e+04    1.23916e+04    1.13004e+03   -2.87426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52190e+03    1.04584e+05    2.81652e+05   -1.71687e+04   -2.15111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19827e+04   -1.72935e+06    3.48611e+05   -1.38074e+06   -1.30305e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12865e+02   -2.11485e+02    1.62008e+02    3.97215e-06

           Step           Time
       11235000    22470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57894e+03    1.79609e+04    1.24457e+04    1.13650e+03   -2.81579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53308e+03    1.04273e+05    2.79710e+05   -1.72021e+04   -2.15075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21414e+04   -1.73099e+06    3.48381e+05   -1.38260e+06   -1.30308e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12659e+02   -2.12306e+02    1.78334e+01    4.12215e-06

           Step           Time
       11240000    22480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76604e+03    1.81659e+04    1.23732e+04    1.11100e+03   -2.88894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46722e+03    1.04800e+05    2.80064e+05   -1.71415e+04   -2.14856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21749e+04   -1.72767e+06    3.48225e+05   -1.37944e+06   -1.30305e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12518e+02   -2.10816e+02    1.03512e+01    4.18689e-06

           Step           Time
       11245000    22490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63836e+03    1.80260e+04    1.24110e+04    1.03653e+03   -2.85677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43719e+03    1.04584e+05    2.81354e+05   -1.71561e+04   -2.15256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20411e+04   -1.73104e+06    3.47186e+05   -1.38385e+06   -1.30302e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.11175e+02   -2.59813e+00    3.86556e-06

           Step           Time
       11250000    22500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69591e+03    1.82722e+04    1.22993e+04    1.12135e+03   -2.85980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63616e+03    1.04421e+05    2.78929e+05   -1.71833e+04   -2.14864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18948e+04   -1.72941e+06    3.49748e+05   -1.37966e+06   -1.30301e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13885e+02   -2.11844e+02    3.79890e+01    4.19726e-06

           Step           Time
       11255000    22510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85918e+03    1.81438e+04    1.23960e+04    1.05656e+03   -2.79293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48158e+03    1.04555e+05    2.79061e+05   -1.71206e+04   -2.15180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23025e+04   -1.73186e+06    3.48128e+05   -1.38373e+06   -1.30294e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12432e+02   -2.10303e+02   -8.14596e+01    4.06298e-06

           Step           Time
       11260000    22520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53055e+03    1.84293e+04    1.24495e+04    1.14785e+03   -2.82067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51269e+03    1.04667e+05    2.81156e+05   -1.71984e+04   -2.15277e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20315e+04   -1.73086e+06    3.48531e+05   -1.38233e+06   -1.30292e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12793e+02   -2.12215e+02    6.74702e+01    3.94789e-06

           Step           Time
       11265000    22530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57858e+03    1.81963e+04    1.24110e+04    1.07061e+03   -2.80386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69485e+03    1.04539e+05    2.78045e+05   -1.71597e+04   -2.14873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19970e+04   -1.73016e+06    3.48682e+05   -1.38148e+06   -1.30286e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12929e+02   -2.11264e+02    3.78286e+01    4.10786e-06

           Step           Time
       11270000    22540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60802e+03    1.81228e+04    1.24583e+04    1.09790e+03   -2.87709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45868e+03    1.04453e+05    2.78955e+05   -1.71923e+04   -2.14827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20678e+04   -1.72912e+06    3.48495e+05   -1.38062e+06   -1.30289e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12761e+02   -2.12065e+02    1.05894e+01    4.14979e-06

           Step           Time
       11275000    22550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40298e+03    1.86441e+04    1.25097e+04    1.15733e+03   -2.86495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57980e+03    1.04283e+05    2.77407e+05   -1.71532e+04   -2.14725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20999e+04   -1.72919e+06    3.49720e+05   -1.37947e+06   -1.30281e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13860e+02   -2.11104e+02   -1.56613e+01    4.05057e-06

           Step           Time
       11280000    22560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32593e+03    1.78535e+04    1.23744e+04    1.05114e+03   -2.75164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62016e+03    1.04773e+05    2.79873e+05   -1.71958e+04   -2.15215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21068e+04   -1.73212e+06    3.47312e+05   -1.38481e+06   -1.30282e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11699e+02   -2.12153e+02    2.38232e+01    4.10030e-06

           Step           Time
       11285000    22570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57405e+03    1.84025e+04    1.23722e+04    1.11118e+03   -2.84165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43702e+03    1.04523e+05    2.77430e+05   -1.71550e+04   -2.14866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21395e+04   -1.73067e+06    3.48701e+05   -1.38197e+06   -1.30280e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12945e+02   -2.11148e+02   -1.24328e+02    4.10636e-06

           Step           Time
       11290000    22580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37744e+03    1.81534e+04    1.23860e+04    1.15164e+03   -2.79489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41553e+03    1.04764e+05    2.79104e+05   -1.71368e+04   -2.14923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21298e+04   -1.72968e+06    3.47135e+05   -1.38254e+06   -1.30279e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11540e+02   -2.10699e+02   -4.30643e+00    4.19466e-06

           Step           Time
       11295000    22590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54796e+03    1.79599e+04    1.24630e+04    1.15841e+03   -2.84260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51413e+03    1.04798e+05    2.76630e+05   -1.71627e+04   -2.14736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19490e+04   -1.73035e+06    3.48387e+05   -1.38196e+06   -1.30274e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12664e+02   -2.11337e+02   -1.47925e+02    3.90148e-06

           Step           Time
       11300000    22600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47951e+03    1.84540e+04    1.23424e+04    1.08064e+03   -2.77142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50967e+03    1.04504e+05    2.80824e+05   -1.71661e+04   -2.15019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19176e+04   -1.72901e+06    3.47155e+05   -1.38186e+06   -1.30270e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11558e+02   -2.11421e+02    3.26569e+01    4.09458e-06

           Step           Time
       11305000    22610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59549e+03    1.80106e+04    1.23748e+04    1.03622e+03   -2.76055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50562e+03    1.04340e+05    2.79321e+05   -1.71448e+04   -2.15106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19992e+04   -1.73179e+06    3.48475e+05   -1.38331e+06   -1.30269e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12742e+02   -2.10897e+02   -7.56836e+01    4.04295e-06

           Step           Time
       11310000    22620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50374e+03    1.80732e+04    1.25281e+04    1.15611e+03   -2.83905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41576e+03    1.05051e+05    2.79174e+05   -1.71596e+04   -2.15104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20350e+04   -1.73110e+06    3.49317e+05   -1.38178e+06   -1.30266e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13499e+02   -2.11261e+02   -4.12051e+01    4.24070e-06

           Step           Time
       11315000    22630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48027e+03    1.82366e+04    1.24927e+04    1.04302e+03   -2.84178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55077e+03    1.04445e+05    2.82691e+05   -1.71466e+04   -2.15374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22243e+04   -1.73056e+06    3.51329e+05   -1.37923e+06   -1.30263e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15304e+02   -2.10940e+02    1.25072e+02    4.10961e-06

           Step           Time
       11320000    22640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51411e+03    1.80438e+04    1.24451e+04    1.05320e+03   -2.71615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46766e+03    1.04297e+05    2.80545e+05   -1.71938e+04   -2.15244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20064e+04   -1.73198e+06    3.48376e+05   -1.38360e+06   -1.30258e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12654e+02   -2.12102e+02    4.47051e+00    4.08815e-06

           Step           Time
       11325000    22650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29711e+03    1.82878e+04    1.25063e+04    1.12745e+03   -2.87827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66470e+03    1.04748e+05    2.79352e+05   -1.71539e+04   -2.14832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21723e+04   -1.72820e+06    3.49442e+05   -1.37876e+06   -1.30258e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13611e+02   -2.11121e+02    5.89331e+01    4.08267e-06

           Step           Time
       11330000    22660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74544e+03    1.80935e+04    1.26176e+04    9.96984e+02   -2.72798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48130e+03    1.04321e+05    2.79806e+05   -1.71582e+04   -2.15052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23689e+04   -1.72997e+06    3.48076e+05   -1.38190e+06   -1.30251e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12384e+02   -2.11226e+02    1.35040e+01    3.98275e-06

           Step           Time
       11335000    22670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47213e+03    1.84306e+04    1.23784e+04    1.06821e+03   -2.73155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40169e+03    1.04806e+05    2.76883e+05   -1.71666e+04   -2.14714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21354e+04   -1.72946e+06    3.47660e+05   -1.38180e+06   -1.30247e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12011e+02   -2.11434e+02   -1.03797e+02    4.08961e-06

           Step           Time
       11340000    22680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74210e+03    1.82545e+04    1.25181e+04    1.07730e+03   -2.80969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54241e+03    1.04598e+05    2.81338e+05   -1.71623e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19295e+04   -1.73035e+06    3.50687e+05   -1.37966e+06   -1.30247e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14728e+02   -2.11328e+02    8.43844e+01    4.21941e-06

           Step           Time
       11345000    22690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53508e+03    1.79239e+04    1.25579e+04    1.04905e+03   -2.68585e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47713e+03    1.04543e+05    2.81781e+05   -1.71773e+04   -2.15406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21661e+04   -1.73189e+06    3.50202e+05   -1.38169e+06   -1.30243e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14292e+02   -2.11696e+02    1.03666e+02    4.03213e-06

           Step           Time
       11350000    22700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42081e+03    1.81482e+04    1.23898e+04    1.05054e+03   -2.86547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48453e+03    1.04186e+05    2.80392e+05   -1.71460e+04   -2.14972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22652e+04   -1.72940e+06    3.48984e+05   -1.38041e+06   -1.30237e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13200e+02   -2.10926e+02    2.07227e+01    4.05647e-06

           Step           Time
       11355000    22710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71956e+03    1.80475e+04    1.22806e+04    1.09840e+03   -2.74776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49303e+03    1.04540e+05    2.79556e+05   -1.71682e+04   -2.14888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22642e+04   -1.72880e+06    3.47430e+05   -1.38137e+06   -1.30235e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11805e+02   -2.11472e+02    3.21428e+01    4.12395e-06

           Step           Time
       11360000    22720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36917e+03    1.81123e+04    1.23650e+04    1.06942e+03   -2.89809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55789e+03    1.05030e+05    2.80369e+05   -1.71690e+04   -2.15128e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19843e+04   -1.73049e+06    3.48934e+05   -1.38156e+06   -1.30234e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13154e+02   -2.11491e+02    6.57491e+01    4.02350e-06

           Step           Time
       11365000    22730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74673e+03    1.80007e+04    1.25434e+04    1.16014e+03   -2.82381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49435e+03    1.05089e+05    2.80021e+05   -1.71622e+04   -2.15171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21987e+04   -1.73044e+06    3.48857e+05   -1.38158e+06   -1.30228e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13085e+02   -2.11324e+02   -2.05846e+01    4.12305e-06

           Step           Time
       11370000    22740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59746e+03    1.84147e+04    1.22322e+04    1.03792e+03   -2.76003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43010e+03    1.04594e+05    2.80149e+05   -1.71689e+04   -2.15426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20411e+04   -1.73369e+06    3.49150e+05   -1.38454e+06   -1.30227e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13348e+02   -2.11489e+02   -1.81943e+01    3.82685e-06

           Step           Time
       11375000    22750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77262e+03    1.87477e+04    1.24152e+04    1.03655e+03   -2.92964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42540e+03    1.04636e+05    2.79923e+05   -1.71573e+04   -2.14850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23240e+04   -1.72731e+06    3.48557e+05   -1.37875e+06   -1.30222e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12816e+02   -2.11204e+02   -5.56795e+00    3.94879e-06

           Step           Time
       11380000    22760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75997e+03    1.82436e+04    1.24558e+04    1.16136e+03   -2.87918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55971e+03    1.05022e+05    2.79089e+05   -1.71385e+04   -2.14806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22538e+04   -1.72753e+06    3.51969e+05   -1.37556e+06   -1.30223e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15878e+02   -2.10741e+02    6.15668e+01    4.03857e-06

           Step           Time
       11385000    22770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46941e+03    1.82968e+04    1.24739e+04    1.11530e+03   -2.84885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50441e+03    1.04472e+05    2.81142e+05   -1.71441e+04   -2.15360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20657e+04   -1.73205e+06    3.49578e+05   -1.38247e+06   -1.30218e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13733e+02   -2.10879e+02    6.16093e+01    4.08739e-06

           Step           Time
       11390000    22780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45313e+03    1.80158e+04    1.23958e+04    1.04528e+03   -2.91298e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40766e+03    1.04852e+05    2.79683e+05   -1.72063e+04   -2.15105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21627e+04   -1.73115e+06    3.48589e+05   -1.38256e+06   -1.30220e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12845e+02   -2.12411e+02   -4.77598e+00    4.08450e-06

           Step           Time
       11395000    22790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54472e+03    1.87032e+04    1.22514e+04    1.07730e+03   -2.83855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46714e+03    1.04394e+05    2.78462e+05   -1.71610e+04   -2.14836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22582e+04   -1.72920e+06    3.49810e+05   -1.37939e+06   -1.30215e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13941e+02   -2.11296e+02   -2.18861e+01    3.98902e-06

           Step           Time
       11400000    22800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25567e+03    1.83876e+04    1.23394e+04    1.07366e+03   -2.78965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48604e+03    1.05064e+05    2.79628e+05   -1.71544e+04   -2.14931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20804e+04   -1.72894e+06    3.47996e+05   -1.38095e+06   -1.30213e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12313e+02   -2.11133e+02    4.82481e+01    4.12838e-06

           Step           Time
       11405000    22810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58447e+03    1.83683e+04    1.24060e+04    1.08209e+03   -2.84080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48433e+03    1.04552e+05    2.78015e+05   -1.72032e+04   -2.14686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20844e+04   -1.72833e+06    3.48417e+05   -1.37991e+06   -1.30205e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12690e+02   -2.12334e+02   -2.14977e+00    4.04038e-06

           Step           Time
       11410000    22820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.17032e+03    1.84344e+04    1.22803e+04    1.07381e+03   -2.83199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53709e+03    1.05065e+05    2.81157e+05   -1.71765e+04   -2.15228e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20013e+04   -1.73057e+06    3.47421e+05   -1.38315e+06   -1.30202e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11797e+02   -2.11677e+02    1.44331e+02    4.17185e-06

           Step           Time
       11415000    22830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64275e+03    1.85646e+04    1.24611e+04    1.14955e+03   -2.81901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41745e+03    1.04292e+05    2.78642e+05   -1.71643e+04   -2.14734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22678e+04   -1.72789e+06    3.49602e+05   -1.37828e+06   -1.30199e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13754e+02   -2.11376e+02   -1.18354e+00    4.09878e-06

           Step           Time
       11420000    22840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49544e+03    1.75742e+04    1.23946e+04    1.05003e+03   -2.95134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61817e+03    1.04872e+05    2.80455e+05   -1.71610e+04   -2.15321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21965e+04   -1.73266e+06    3.47824e+05   -1.38484e+06   -1.30198e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12159e+02   -2.11295e+02    4.56688e+01    4.09231e-06

           Step           Time
       11425000    22850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47279e+03    1.80720e+04    1.24045e+04    1.10478e+03   -2.81160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43278e+03    1.04787e+05    2.78032e+05   -1.71592e+04   -2.14593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19906e+04   -1.72760e+06    3.47296e+05   -1.38031e+06   -1.30197e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11684e+02   -2.11250e+02   -2.96704e+01    4.11421e-06

           Step           Time
       11430000    22860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59643e+03    1.81901e+04    1.24912e+04    1.07264e+03   -2.78249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45087e+03    1.04398e+05    2.78720e+05   -1.71668e+04   -2.15041e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20439e+04   -1.73139e+06    3.48029e+05   -1.38336e+06   -1.30192e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12343e+02   -2.11439e+02   -6.65359e+01    4.08542e-06

           Step           Time
       11435000    22870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60899e+03    1.82163e+04    1.25306e+04    1.14802e+03   -2.87633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45843e+03    1.04304e+05    2.79851e+05   -1.71816e+04   -2.15052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20282e+04   -1.73043e+06    3.48937e+05   -1.38149e+06   -1.30188e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13158e+02   -2.11802e+02    2.55646e+01    4.14129e-06

           Step           Time
       11440000    22880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67376e+03    1.85528e+04    1.25181e+04    1.17008e+03   -2.85365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46133e+03    1.04528e+05    2.77286e+05   -1.71620e+04   -2.14579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21406e+04   -1.72748e+06    3.48784e+05   -1.37869e+06   -1.30184e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13020e+02   -2.11319e+02   -8.41300e+01    3.95157e-06

           Step           Time
       11445000    22890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63843e+03    1.84837e+04    1.24900e+04    1.18470e+03   -2.94449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53447e+03    1.04526e+05    2.80432e+05   -1.71290e+04   -2.14894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21621e+04   -1.72756e+06    3.46982e+05   -1.38058e+06   -1.30179e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11403e+02   -2.10509e+02   -1.53517e+01    4.14863e-06

           Step           Time
       11450000    22900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39277e+03    1.80593e+04    1.22991e+04    1.10685e+03   -2.79409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53659e+03    1.04418e+05    2.80791e+05   -1.71760e+04   -2.15079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22642e+04   -1.72990e+06    3.48746e+05   -1.38115e+06   -1.30180e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12986e+02   -2.11664e+02    1.35738e+02    3.92304e-06

           Step           Time
       11455000    22910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52144e+03    1.84901e+04    1.23865e+04    1.11112e+03   -2.90028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49680e+03    1.04155e+05    2.79770e+05   -1.71255e+04   -2.14940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22235e+04   -1.72927e+06    3.48134e+05   -1.38114e+06   -1.30175e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12437e+02   -2.10423e+02    1.52877e+01    4.14131e-06

           Step           Time
       11460000    22920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79741e+03    1.84810e+04    1.21918e+04    1.03312e+03   -2.99950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46758e+03    1.04355e+05    2.80796e+05   -1.71837e+04   -2.14990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19692e+04   -1.72899e+06    3.48890e+05   -1.38010e+06   -1.30172e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13115e+02   -2.11854e+02    6.77486e+01    3.97387e-06

           Step           Time
       11465000    22930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69579e+03    1.83923e+04    1.25795e+04    1.07175e+03   -2.97729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48753e+03    1.04302e+05    2.77981e+05   -1.71168e+04   -2.14682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21058e+04   -1.72830e+06    3.47989e+05   -1.38031e+06   -1.30169e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12306e+02   -2.10210e+02   -8.05644e+01    4.06010e-06

           Step           Time
       11470000    22940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62921e+03    1.85396e+04    1.25898e+04    1.13341e+03   -2.86022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56686e+03    1.04532e+05    2.80726e+05   -1.71788e+04   -2.15083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22817e+04   -1.72887e+06    3.48558e+05   -1.38031e+06   -1.30162e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12818e+02   -2.11732e+02    1.29843e+02    4.11843e-06

           Step           Time
       11475000    22950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51736e+03    1.85259e+04    1.23737e+04    1.11549e+03   -2.79638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45929e+03    1.04619e+05    2.77198e+05   -1.71574e+04   -2.14665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21997e+04   -1.72860e+06    3.49490e+05   -1.37911e+06   -1.30166e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13654e+02   -2.11206e+02   -3.96108e+01    3.96445e-06

           Step           Time
       11480000    22960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44569e+03    1.79993e+04    1.23111e+04    1.04417e+03   -2.79808e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48925e+03    1.04369e+05    2.79106e+05   -1.71740e+04   -2.14975e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22397e+04   -1.73071e+06    3.48099e+05   -1.38261e+06   -1.30163e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12405e+02   -2.11616e+02    6.13445e+01    4.06042e-06

           Step           Time
       11485000    22970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61135e+03    1.81735e+04    1.23014e+04    1.03435e+03   -2.78730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55420e+03    1.04683e+05    2.80977e+05   -1.71636e+04   -2.15122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21704e+04   -1.72966e+06    3.47944e+05   -1.38172e+06   -1.30151e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12266e+02   -2.11358e+02    7.69726e+01    4.06226e-06

           Step           Time
       11490000    22980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67860e+03    1.80274e+04    1.21897e+04    9.41870e+02   -2.80924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42441e+03    1.04256e+05    2.77110e+05   -1.71961e+04   -2.14835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23035e+04   -1.73142e+06    3.47221e+05   -1.38420e+06   -1.30154e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11618e+02   -2.12159e+02   -8.22128e+01    3.96307e-06

           Step           Time
       11495000    22990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44789e+03    1.82107e+04    1.24699e+04    1.13404e+03   -2.76155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56365e+03    1.04504e+05    2.78805e+05   -1.71378e+04   -2.14722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21444e+04   -1.72784e+06    3.48870e+05   -1.37897e+06   -1.30154e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13097e+02   -2.10724e+02    8.24000e+00    3.93789e-06

           Step           Time
       11500000    23000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43166e+03    1.80198e+04    1.22311e+04    1.00969e+03   -2.88202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65520e+03    1.04449e+05    2.81994e+05   -1.71631e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20267e+04   -1.73215e+06    3.47783e+05   -1.38437e+06   -1.30153e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12121e+02   -2.11346e+02    1.35605e+02    3.97982e-06

           Step           Time
       11505000    23010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47272e+03    1.80353e+04    1.22825e+04    1.13059e+03   -2.81286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44724e+03    1.04751e+05    2.79975e+05   -1.71779e+04   -2.15086e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19984e+04   -1.73076e+06    3.48816e+05   -1.38194e+06   -1.30147e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13049e+02   -2.11711e+02    4.62089e+01    4.02743e-06

           Step           Time
       11510000    23020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52153e+03    1.82710e+04    1.25395e+04    1.07446e+03   -2.77236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57883e+03    1.04336e+05    2.79148e+05   -1.71552e+04   -2.14777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22467e+04   -1.72799e+06    3.49659e+05   -1.37833e+06   -1.30141e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13805e+02   -2.11152e+02    6.16206e+01    4.05897e-06

           Step           Time
       11515000    23030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50743e+03    1.81340e+04    1.22488e+04    1.08652e+03   -2.74597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52588e+03    1.05098e+05    2.78700e+05   -1.71815e+04   -2.14968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20716e+04   -1.73023e+06    3.49873e+05   -1.38036e+06   -1.30137e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13997e+02   -2.11800e+02    1.43702e+01    4.19351e-06

           Step           Time
       11520000    23040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60470e+03    1.83437e+04    1.21794e+04    1.04680e+03   -2.91687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32230e+03    1.04374e+05    2.78667e+05   -1.71845e+04   -2.14800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19867e+04   -1.72957e+06    3.47717e+05   -1.38185e+06   -1.30133e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12062e+02   -2.11873e+02   -7.74337e+01    4.00901e-06

           Step           Time
       11525000    23050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56362e+03    1.81996e+04    1.23419e+04    1.08988e+03   -2.77323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41205e+03    1.04688e+05    2.79011e+05   -1.71428e+04   -2.14965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21749e+04   -1.73008e+06    3.49010e+05   -1.38107e+06   -1.30131e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13223e+02   -2.10847e+02   -1.15321e+01    4.01238e-06

           Step           Time
       11530000    23060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53540e+03    1.83396e+04    1.24190e+04    1.08519e+03   -2.77601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44749e+03    1.04883e+05    2.78033e+05   -1.71319e+04   -2.14909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20048e+04   -1.73025e+06    3.49275e+05   -1.38098e+06   -1.30129e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13461e+02   -2.10580e+02   -6.74122e+01    4.10252e-06

           Step           Time
       11535000    23070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66975e+03    1.83992e+04    1.25930e+04    1.11314e+03   -2.91219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55442e+03    1.04827e+05    2.81708e+05   -1.71561e+04   -2.15456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20468e+04   -1.73172e+06    3.47934e+05   -1.38378e+06   -1.30124e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12257e+02   -2.11176e+02    6.30981e+01    4.11362e-06

           Step           Time
       11540000    23080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46309e+03    1.78431e+04    1.24101e+04    1.03498e+03   -2.83726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55306e+03    1.04904e+05    2.78712e+05   -1.71740e+04   -2.14935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21621e+04   -1.73028e+06    3.48455e+05   -1.38183e+06   -1.30124e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12724e+02   -2.11614e+02    1.19894e+01    4.17920e-06

           Step           Time
       11545000    23090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63396e+03    1.82785e+04    1.24416e+04    1.08722e+03   -2.90840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52302e+03    1.04600e+05    2.79278e+05   -1.71672e+04   -2.14723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20592e+04   -1.72740e+06    3.51012e+05   -1.37639e+06   -1.30123e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15019e+02   -2.11447e+02    4.72943e+01    4.07941e-06

           Step           Time
       11550000    23100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29311e+03    1.78821e+04    1.22868e+04    1.10902e+03   -2.85459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55401e+03    1.05173e+05    2.77629e+05   -1.71912e+04   -2.14975e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20985e+04   -1.73177e+06    3.47557e+05   -1.38421e+06   -1.30121e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11919e+02   -2.12039e+02   -3.17743e+01    4.12338e-06

           Step           Time
       11555000    23110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55354e+03    1.82552e+04    1.23087e+04    1.04152e+03   -2.86489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50732e+03    1.05302e+05    2.77702e+05   -1.71506e+04   -2.14842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20745e+04   -1.72969e+06    3.50864e+05   -1.37883e+06   -1.30116e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14886e+02   -2.11040e+02   -1.04040e+02    4.03049e-06

           Step           Time
       11560000    23120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44444e+03    1.84566e+04    1.23379e+04    1.07247e+03   -2.83471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46186e+03    1.04920e+05    2.82116e+05   -1.72294e+04   -2.15379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19989e+04   -1.73104e+06    3.49245e+05   -1.38180e+06   -1.30111e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13434e+02   -2.12981e+02    1.38562e+02    3.97354e-06

           Step           Time
       11565000    23130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52322e+03    1.85627e+04    1.25094e+04    1.31411e+03   -2.98042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52113e+03    1.05080e+05    2.78232e+05   -1.71422e+04   -2.14714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22100e+04   -1.72731e+06    3.50096e+05   -1.37722e+06   -1.30111e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14198e+02   -2.10832e+02    4.87502e+01    3.97936e-06

           Step           Time
       11570000    23140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45934e+03    1.84590e+04    1.23417e+04    1.08643e+03   -2.79621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52890e+03    1.04895e+05    2.79080e+05   -1.71167e+04   -2.14808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21505e+04   -1.72799e+06    3.49224e+05   -1.37876e+06   -1.30105e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13415e+02   -2.10207e+02    4.83221e+01    4.17730e-06

           Step           Time
       11575000    23150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64974e+03    1.79724e+04    1.22510e+04    1.05163e+03   -2.89335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52246e+03    1.04937e+05    2.79612e+05   -1.71529e+04   -2.14848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19748e+04   -1.72856e+06    3.49683e+05   -1.37887e+06   -1.30104e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13827e+02   -2.11097e+02   -4.14365e+00    4.14056e-06

           Step           Time
       11580000    23160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76142e+03    1.84914e+04    1.24297e+04    1.08974e+03   -2.92094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55492e+03    1.04800e+05    2.79391e+05   -1.71585e+04   -2.15110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18386e+04   -1.73082e+06    3.49356e+05   -1.38147e+06   -1.30100e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13533e+02   -2.11234e+02   -1.20840e+01    4.27266e-06

           Step           Time
       11585000    23170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71781e+03    1.83409e+04    1.22592e+04    1.12097e+03   -2.79798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47541e+03    1.04718e+05    2.77047e+05   -1.71592e+04   -2.14710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19547e+04   -1.72942e+06    3.50208e+05   -1.37922e+06   -1.30095e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14298e+02   -2.11251e+02   -1.29955e+02    4.21123e-06

           Step           Time
       11590000    23180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65455e+03    1.79291e+04    1.23817e+04    1.13333e+03   -2.88964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40953e+03    1.04544e+05    2.77434e+05   -1.71833e+04   -2.14997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22606e+04   -1.73230e+06    3.47658e+05   -1.38464e+06   -1.30092e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12010e+02   -2.11844e+02   -1.53747e+02    3.92329e-06

           Step           Time
       11595000    23190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68417e+03    1.81674e+04    1.22745e+04    1.06918e+03   -2.80224e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51634e+03    1.04745e+05    2.76956e+05   -1.71824e+04   -2.14576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20279e+04   -1.72831e+06    3.49102e+05   -1.37921e+06   -1.30091e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13305e+02   -2.11822e+02   -3.64854e+01    3.97512e-06

           Step           Time
       11600000    23200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62288e+03    1.80572e+04    1.25337e+04    1.18834e+03   -2.88334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46850e+03    1.04475e+05    2.80236e+05   -1.71638e+04   -2.15114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18303e+04   -1.73078e+06    3.47240e+05   -1.38354e+06   -1.30087e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11634e+02   -2.11363e+02    4.62953e+01    3.96966e-06

           Step           Time
       11605000    23210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39888e+03    1.84016e+04    1.24330e+04    1.10771e+03   -2.89438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56117e+03    1.04339e+05    2.78859e+05   -1.71655e+04   -2.14766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22440e+04   -1.72838e+06    3.50002e+05   -1.37838e+06   -1.30082e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14113e+02   -2.11405e+02    1.44022e+01    4.06070e-06

           Step           Time
       11610000    23220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72888e+03    1.78708e+04    1.24187e+04    1.10617e+03   -2.77537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36919e+03    1.04980e+05    2.79336e+05   -1.71835e+04   -2.15035e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21542e+04   -1.73035e+06    3.48464e+05   -1.38188e+06   -1.30086e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12733e+02   -2.11848e+02   -7.76104e+01    4.06977e-06

           Step           Time
       11615000    23230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67496e+03    1.82732e+04    1.24897e+04    1.04127e+03   -2.92718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58203e+03    1.04290e+05    2.75340e+05   -1.71313e+04   -2.14567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20465e+04   -1.72999e+06    3.50895e+05   -1.37909e+06   -1.30082e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14915e+02   -2.10565e+02   -1.99114e+02    4.01163e-06

           Step           Time
       11620000    23240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83537e+03    1.86272e+04    1.23057e+04    1.11033e+03   -2.79344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46797e+03    1.04422e+05    2.79829e+05   -1.71313e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22346e+04   -1.72830e+06    3.49572e+05   -1.37872e+06   -1.30077e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13727e+02   -2.10565e+02    1.31044e+01    4.10056e-06

           Step           Time
       11625000    23250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45390e+03    1.83468e+04    1.23964e+04    1.07500e+03   -2.77977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42762e+03    1.04052e+05    2.77387e+05   -1.71698e+04   -2.14789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20703e+04   -1.73063e+06    3.48640e+05   -1.38199e+06   -1.30074e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12891e+02   -2.11511e+02   -5.41943e+01    4.09945e-06

           Step           Time
       11630000    23260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54801e+03    1.79445e+04    1.23467e+04    1.11691e+03   -2.75880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44032e+03    1.04802e+05    2.82800e+05   -1.71596e+04   -2.15372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21691e+04   -1.73047e+06    3.48585e+05   -1.38189e+06   -1.30072e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12841e+02   -2.11260e+02    4.99970e+01    3.96956e-06

           Step           Time
       11635000    23270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74533e+03    1.89245e+04    1.22444e+04    1.15647e+03   -2.87046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44203e+03    1.04474e+05    2.78279e+05   -1.71458e+04   -2.14918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21050e+04   -1.72983e+06    3.49361e+05   -1.38047e+06   -1.30067e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13538e+02   -2.10922e+02   -4.98716e+01    4.03972e-06

           Step           Time
       11640000    23280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31087e+03    1.79882e+04    1.24945e+04    1.11483e+03   -2.79198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59805e+03    1.04636e+05    2.77766e+05   -1.71351e+04   -2.14827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22893e+04   -1.73000e+06    3.47950e+05   -1.38205e+06   -1.30068e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12271e+02   -2.10659e+02   -2.19242e+01    3.98269e-06

           Step           Time
       11645000    23290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56041e+03    1.85170e+04    1.21220e+04    1.11384e+03   -2.89081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37994e+03    1.04291e+05    2.79100e+05   -1.71827e+04   -2.14924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18820e+04   -1.73034e+06    3.49526e+05   -1.38082e+06   -1.30061e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13686e+02   -2.11830e+02   -9.60096e+00    4.23890e-06

           Step           Time
       11650000    23300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72557e+03    1.81470e+04    1.24486e+04    1.10927e+03   -2.79829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58997e+03    1.04455e+05    2.79015e+05   -1.71472e+04   -2.14793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21919e+04   -1.72819e+06    3.51195e+05   -1.37700e+06   -1.30062e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15184e+02   -2.10954e+02    4.22336e+01    3.98507e-06

           Step           Time
       11655000    23310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25627e+03    1.84594e+04    1.23298e+04    9.93402e+02   -2.90859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56150e+03    1.04285e+05    2.79221e+05   -1.72103e+04   -2.14862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20020e+04   -1.72963e+06    3.49191e+05   -1.38044e+06   -1.30058e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13385e+02   -2.12509e+02    1.07341e+02    4.07664e-06

           Step           Time
       11660000    23320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56705e+03    1.82711e+04    1.26376e+04    1.01638e+03   -2.90568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51531e+03    1.04421e+05    2.80435e+05   -1.71485e+04   -2.14979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20556e+04   -1.72893e+06    3.47437e+05   -1.38149e+06   -1.30051e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11811e+02   -2.10987e+02    4.35743e+01    4.08133e-06

           Step           Time
       11665000    23330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54387e+03    1.85199e+04    1.25613e+04    1.11462e+03   -2.78871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38608e+03    1.04662e+05    2.78316e+05   -1.71921e+04   -2.14714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22286e+04   -1.72779e+06    3.50498e+05   -1.37729e+06   -1.30050e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14558e+02   -2.12060e+02   -1.14434e+01    4.12248e-06

           Step           Time
       11670000    23340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53387e+03    1.82540e+04    1.23792e+04    1.07790e+03   -2.84215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64764e+03    1.04561e+05    2.77605e+05   -1.71847e+04   -2.14900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22008e+04   -1.73077e+06    3.47772e+05   -1.38300e+06   -1.30050e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12112e+02   -2.11878e+02   -2.21392e+01    3.94792e-06

           Step           Time
       11675000    23350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54706e+03    1.81345e+04    1.22608e+04    1.11617e+03   -2.82880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54622e+03    1.04993e+05    2.78809e+05   -1.71682e+04   -2.15006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20345e+04   -1.73061e+06    3.48021e+05   -1.38259e+06   -1.30046e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12335e+02   -2.11473e+02   -5.99337e+01    3.95275e-06

           Step           Time
       11680000    23360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42311e+03    1.82925e+04    1.23292e+04    1.11412e+03   -2.76323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59039e+03    1.04656e+05    2.78879e+05   -1.71576e+04   -2.14873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21731e+04   -1.72919e+06    3.49980e+05   -1.37921e+06   -1.30044e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14094e+02   -2.11212e+02   -1.40469e+01    3.98348e-06

           Step           Time
       11685000    23370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73496e+03    1.82762e+04    1.23581e+04    1.17105e+03   -2.88415e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63056e+03    1.04379e+05    2.78601e+05   -1.71362e+04   -2.14915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22508e+04   -1.72977e+06    3.50275e+05   -1.37950e+06   -1.30045e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14358e+02   -2.10684e+02   -3.93425e+01    3.99719e-06

           Step           Time
       11690000    23380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43171e+03    1.83110e+04    1.23909e+04    1.07608e+03   -2.83259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51582e+03    1.04410e+05    2.79407e+05   -1.71624e+04   -2.14929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20869e+04   -1.72965e+06    3.48565e+05   -1.38109e+06   -1.30039e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12823e+02   -2.11330e+02   -1.85433e+01    4.05149e-06

           Step           Time
       11695000    23390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58113e+03    1.84198e+04    1.24625e+04    1.19136e+03   -2.77731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54197e+03    1.04332e+05    2.77718e+05   -1.71115e+04   -2.14706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22047e+04   -1.72850e+06    3.49838e+05   -1.37866e+06   -1.30036e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13966e+02   -2.10080e+02   -6.91242e+01    4.08239e-06

           Step           Time
       11700000    23400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42521e+03    1.83904e+04    1.22125e+04    1.03188e+03   -2.78622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63405e+03    1.04440e+05    2.78774e+05   -1.71457e+04   -2.14669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20334e+04   -1.72768e+06    3.46792e+05   -1.38089e+06   -1.30031e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11232e+02   -2.10919e+02    3.37751e+01    3.88274e-06

           Step           Time
       11705000    23410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56566e+03    1.80628e+04    1.22589e+04    1.12521e+03   -2.85909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53752e+03    1.04369e+05    2.77791e+05   -1.72113e+04   -2.14866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20829e+04   -1.73093e+06    3.48401e+05   -1.38253e+06   -1.30031e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12677e+02   -2.12534e+02    1.17983e+01    3.99444e-06

           Step           Time
       11710000    23420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52440e+03    1.83747e+04    1.23902e+04    9.68120e+02   -2.83453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55877e+03    1.04481e+05    2.79639e+05   -1.71550e+04   -2.14966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20969e+04   -1.72962e+06    3.47633e+05   -1.38198e+06   -1.30022e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11987e+02   -2.11147e+02   -1.29464e+01    3.96234e-06

           Step           Time
       11715000    23430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63136e+03    1.80368e+04    1.24003e+04    1.12297e+03   -2.86559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49136e+03    1.04538e+05    2.81587e+05   -1.71746e+04   -2.15401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19121e+04   -1.73233e+06    3.48166e+05   -1.38416e+06   -1.30025e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12465e+02   -2.11631e+02    2.58600e+01    4.03178e-06

           Step           Time
       11720000    23440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43428e+03    1.82842e+04    1.24827e+04    1.14520e+03   -2.91025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54886e+03    1.04229e+05    2.77881e+05   -1.72064e+04   -2.15029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19258e+04   -1.73247e+06    3.48559e+05   -1.38391e+06   -1.30022e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12818e+02   -2.12413e+02   -7.50261e+01    4.03943e-06

           Step           Time
       11725000    23450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66993e+03    1.82103e+04    1.23123e+04    1.14848e+03   -2.71511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55687e+03    1.04098e+05    2.76405e+05   -1.71879e+04   -2.14403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21057e+04   -1.72742e+06    3.50307e+05   -1.37711e+06   -1.30024e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14387e+02   -2.11958e+02   -1.04088e+02    4.08574e-06

           Step           Time
       11730000    23460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48234e+03    1.83230e+04    1.24513e+04    1.03077e+03   -2.82537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56387e+03    1.04038e+05    2.77190e+05   -1.71537e+04   -2.14789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20321e+04   -1.73076e+06    3.50193e+05   -1.38057e+06   -1.30019e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14284e+02   -2.11116e+02   -1.08860e+02    4.09140e-06

           Step           Time
       11735000    23470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62677e+03    1.82214e+04    1.23512e+04    1.14493e+03   -2.84754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49406e+03    1.04622e+05    2.77653e+05   -1.71743e+04   -2.14792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20493e+04   -1.72978e+06    3.47435e+05   -1.38234e+06   -1.30015e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11810e+02   -2.11621e+02   -1.28726e+02    4.22721e-06

           Step           Time
       11740000    23480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36365e+03    1.85998e+04    1.22556e+04    1.12376e+03   -2.79025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58233e+03    1.04669e+05    2.80176e+05   -1.71789e+04   -2.14897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21755e+04   -1.72800e+06    3.49493e+05   -1.37850e+06   -1.30012e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13656e+02   -2.11736e+02    1.11296e+02    4.14386e-06

           Step           Time
       11745000    23490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66251e+03    1.80490e+04    1.25736e+04    1.10441e+03   -2.78663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39825e+03    1.04513e+05    2.78655e+05   -1.71670e+04   -2.14759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21257e+04   -1.72846e+06    3.48767e+05   -1.37969e+06   -1.30010e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13005e+02   -2.11442e+02   -1.12663e+02    4.19225e-06

           Step           Time
       11750000    23500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66223e+03    1.81542e+04    1.24299e+04    1.11406e+03   -2.90272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48163e+03    1.04418e+05    2.79881e+05   -1.71532e+04   -2.14888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21351e+04   -1.72866e+06    3.51052e+05   -1.37761e+06   -1.30011e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15056e+02   -2.11103e+02    1.06033e+01    4.14430e-06

           Step           Time
       11755000    23510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37863e+03    1.82264e+04    1.24656e+04    1.05808e+03   -2.89039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54450e+03    1.04567e+05    2.82115e+05   -1.72045e+04   -2.15288e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20763e+04   -1.73054e+06    3.48197e+05   -1.38234e+06   -1.30002e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12493e+02   -2.12365e+02    1.76695e+02    3.99726e-06

           Step           Time
       11760000    23520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50581e+03    1.81686e+04    1.24168e+04    1.01573e+03   -2.85475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56312e+03    1.04618e+05    2.79718e+05   -1.72065e+04   -2.14995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20252e+04   -1.72998e+06    3.48097e+05   -1.38188e+06   -1.29997e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12403e+02   -2.12416e+02    5.45305e+01    4.14655e-06

           Step           Time
       11765000    23530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53183e+03    1.85307e+04    1.22328e+04    1.01256e+03   -2.75256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51684e+03    1.04051e+05    2.78877e+05   -1.71830e+04   -2.15053e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19538e+04   -1.73176e+06    3.48305e+05   -1.38345e+06   -1.29996e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12590e+02   -2.11835e+02   -5.44169e+01    3.92728e-06

           Step           Time
       11770000    23540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54709e+03    1.81764e+04    1.23895e+04    1.07449e+03   -2.82471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63293e+03    1.04413e+05    2.80007e+05   -1.71343e+04   -2.14961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20987e+04   -1.72923e+06    3.50122e+05   -1.37910e+06   -1.29992e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14221e+02   -2.10638e+02    8.32766e+01    4.12416e-06

           Step           Time
       11775000    23550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51717e+03    1.84374e+04    1.24153e+04    1.03392e+03   -2.72252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45424e+03    1.04783e+05    2.78230e+05   -1.71527e+04   -2.14778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19916e+04   -1.72879e+06    3.49141e+05   -1.37965e+06   -1.29988e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13340e+02   -2.11090e+02   -1.11940e+01    4.15187e-06

           Step           Time
       11780000    23560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69495e+03    1.83390e+04    1.23888e+04    1.07343e+03   -2.74549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57700e+03    1.04798e+05    2.78952e+05   -1.71359e+04   -2.14890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20835e+04   -1.72887e+06    3.48754e+05   -1.38012e+06   -1.29986e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12993e+02   -2.10678e+02   -2.69542e+01    3.96537e-06

           Step           Time
       11785000    23570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67035e+03    1.85746e+04    1.22981e+04    1.04015e+03   -2.83715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33044e+03    1.04355e+05    2.80029e+05   -1.71401e+04   -2.14904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21998e+04   -1.72852e+06    3.48583e+05   -1.37993e+06   -1.29985e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12840e+02   -2.10780e+02   -1.52625e+01    4.15706e-06

           Step           Time
       11790000    23580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44595e+03    1.83861e+04    1.24494e+04    1.10647e+03   -2.81485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56748e+03    1.04728e+05    2.80424e+05   -1.71782e+04   -2.15222e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22313e+04   -1.73088e+06    3.50002e+05   -1.38088e+06   -1.29983e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14113e+02   -2.11719e+02    7.29947e+01    4.10014e-06

           Step           Time
       11795000    23590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56510e+03    1.82216e+04    1.23858e+04    1.06148e+03   -2.79397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56453e+03    1.04003e+05    2.78603e+05   -1.71719e+04   -2.14946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20219e+04   -1.73100e+06    3.48139e+05   -1.38286e+06   -1.29978e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12442e+02   -2.11564e+02    5.00845e+00    3.99832e-06

           Step           Time
       11800000    23600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66257e+03    1.82348e+04    1.23601e+04    1.08548e+03   -2.81082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57422e+03    1.04429e+05    2.78526e+05   -1.71633e+04   -2.14794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22865e+04   -1.72875e+06    3.49467e+05   -1.37929e+06   -1.29979e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13633e+02   -2.11351e+02   -1.03578e+01    4.08478e-06

           Step           Time
       11805000    23610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53352e+03    1.82671e+04    1.23784e+04    1.13486e+03   -2.89225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53112e+03    1.04578e+05    2.82295e+05   -1.72009e+04   -2.15351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21257e+04   -1.73076e+06    3.50072e+05   -1.38069e+06   -1.29973e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14176e+02   -2.12278e+02    1.62205e+02    4.19587e-06

           Step           Time
       11810000    23620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40619e+03    1.83692e+04    1.24081e+04    1.03170e+03   -2.75616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59577e+03    1.04973e+05    2.79426e+05   -1.71754e+04   -2.15022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20728e+04   -1.72987e+06    3.48799e+05   -1.38107e+06   -1.29968e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13034e+02   -2.11650e+02    6.01412e+01    4.04980e-06

           Step           Time
       11815000    23630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71046e+03    1.84002e+04    1.23696e+04    1.10231e+03   -2.89415e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38113e+03    1.04114e+05    2.78183e+05   -1.71529e+04   -2.14787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22164e+04   -1.72944e+06    3.48927e+05   -1.38051e+06   -1.29968e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13148e+02   -2.11095e+02   -3.86923e+01    4.08376e-06

           Step           Time
       11820000    23640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40325e+03    1.84409e+04    1.21554e+04    1.11213e+03   -2.76644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38152e+03    1.03926e+05    2.77140e+05   -1.71717e+04   -2.14736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20072e+04   -1.73074e+06    3.47644e+05   -1.38309e+06   -1.29966e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11997e+02   -2.11559e+02   -6.56027e+01    4.08238e-06

           Step           Time
       11825000    23650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67620e+03    1.83281e+04    1.24356e+04    1.04255e+03   -2.81775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48056e+03    1.04751e+05    2.77402e+05   -1.71664e+04   -2.14518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20369e+04   -1.72701e+06    3.48764e+05   -1.37825e+06   -1.29963e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13002e+02   -2.11429e+02   -2.06339e+01    4.08548e-06

           Step           Time
       11830000    23660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59007e+03    1.81027e+04    1.25005e+04    1.02689e+03   -2.75783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48705e+03    1.04468e+05    2.81141e+05   -1.71544e+04   -2.15180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22296e+04   -1.73017e+06    3.49750e+05   -1.38042e+06   -1.29958e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13887e+02   -2.11132e+02    8.84165e+01    4.08783e-06

           Step           Time
       11835000    23670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70782e+03    1.83021e+04    1.23841e+04    1.03671e+03   -2.80430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71798e+03    1.04842e+05    2.79163e+05   -1.71537e+04   -2.14801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19859e+04   -1.72782e+06    3.50259e+05   -1.37757e+06   -1.29950e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14344e+02   -2.11116e+02    2.46768e+01    4.03705e-06

Writing checkpoint, step 11837500 at Thu Dec  7 08:57:56 2023


           Step           Time
       11840000    23680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52699e+03    1.81251e+04    1.24530e+04    1.24287e+03   -2.83854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61604e+03    1.04673e+05    2.78703e+05   -1.71280e+04   -2.14723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20196e+04   -1.72784e+06    3.50970e+05   -1.37687e+06   -1.29950e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14982e+02   -2.10484e+02    2.12134e+01    4.10024e-06

           Step           Time
       11845000    23690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61246e+03    1.82750e+04    1.22630e+04    1.09443e+03   -2.67707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45956e+03    1.04120e+05    2.78536e+05   -1.71785e+04   -2.14933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20765e+04   -1.73075e+06    3.47588e+05   -1.38316e+06   -1.29948e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11947e+02   -2.11725e+02   -1.11444e+02    3.96708e-06

           Step           Time
       11850000    23700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35112e+03    1.81346e+04    1.23813e+04    1.15430e+03   -2.73552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58512e+03    1.04459e+05    2.78172e+05   -1.71571e+04   -2.14709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20841e+04   -1.72867e+06    3.47992e+05   -1.38067e+06   -1.29943e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12309e+02   -2.11200e+02    1.44641e+01    4.09254e-06

           Step           Time
       11855000    23710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41605e+03    1.82046e+04    1.24125e+04    1.09850e+03   -2.72134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54157e+03    1.04652e+05    2.75648e+05   -1.71244e+04   -2.14389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21260e+04   -1.72764e+06    3.47453e+05   -1.38019e+06   -1.29940e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11825e+02   -2.10396e+02   -1.14401e+02    4.16399e-06

           Step           Time
       11860000    23720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34613e+03    1.79997e+04    1.25003e+04    1.13008e+03   -2.89890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50685e+03    1.04881e+05    2.80851e+05   -1.71328e+04   -2.15038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22109e+04   -1.72899e+06    3.48157e+05   -1.38083e+06   -1.29940e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12457e+02   -2.10602e+02    7.69721e+01    4.16599e-06

           Step           Time
       11865000    23730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69191e+03    1.85192e+04    1.24731e+04    1.14699e+03   -2.87580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53666e+03    1.04178e+05    2.80863e+05   -1.71605e+04   -2.14959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21759e+04   -1.72804e+06    3.48770e+05   -1.37927e+06   -1.29933e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13007e+02   -2.11283e+02    6.20666e+01    4.12123e-06

           Step           Time
       11870000    23740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77791e+03    1.81799e+04    1.22999e+04    1.03537e+03   -2.81565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53905e+03    1.04828e+05    2.77630e+05   -1.71569e+04   -2.14581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24105e+04   -1.72708e+06    3.47107e+05   -1.37998e+06   -1.29931e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11515e+02   -2.11194e+02   -7.85797e+01    3.94757e-06

           Step           Time
       11875000    23750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85047e+03    1.80765e+04    1.24038e+04    1.11191e+03   -2.87583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45297e+03    1.04535e+05    2.80968e+05   -1.71758e+04   -2.15136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21444e+04   -1.72987e+06    3.48937e+05   -1.38093e+06   -1.29930e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13157e+02   -2.11659e+02    6.77599e+01    4.07233e-06

           Step           Time
       11880000    23760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55313e+03    1.85595e+04    1.24589e+04    1.13114e+03   -2.89639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44653e+03    1.04928e+05    2.79124e+05   -1.71602e+04   -2.14868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19520e+04   -1.72859e+06    3.49907e+05   -1.37868e+06   -1.29927e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14028e+02   -2.11275e+02    3.14531e+01    4.08183e-06

           Step           Time
       11885000    23770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57550e+03    1.81913e+04    1.21258e+04    1.14594e+03   -2.94684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62992e+03    1.04625e+05    2.80171e+05   -1.71487e+04   -2.15057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19873e+04   -1.73021e+06    3.49757e+05   -1.38046e+06   -1.29924e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13893e+02   -2.10993e+02    3.08649e+01    4.03060e-06

           Step           Time
       11890000    23780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57347e+03    1.77251e+04    1.24469e+04    1.09464e+03   -2.97167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47492e+03    1.05126e+05    2.77207e+05   -1.71766e+04   -2.14861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19689e+04   -1.73114e+06    3.47976e+05   -1.38317e+06   -1.29921e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12295e+02   -2.11680e+02   -8.01277e+01    3.99241e-06

           Step           Time
       11895000    23790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41450e+03    1.82421e+04    1.24277e+04    1.06487e+03   -2.74250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63760e+03    1.04348e+05    2.77792e+05   -1.71499e+04   -2.14702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21640e+04   -1.72882e+06    3.48885e+05   -1.37993e+06   -1.29919e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13111e+02   -2.11022e+02   -5.66523e+01    4.10597e-06

           Step           Time
       11900000    23800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67631e+03    1.83746e+04    1.23358e+04    1.07758e+03   -2.80695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43001e+03    1.04140e+05    2.78831e+05   -1.71847e+04   -2.15023e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19879e+04   -1.73137e+06    3.50445e+05   -1.38092e+06   -1.29914e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14511e+02   -2.11879e+02   -6.49743e+01    3.97783e-06

           Step           Time
       11905000    23810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43060e+03    1.84641e+04    1.23669e+04    1.17539e+03   -2.84144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45317e+03    1.04524e+05    2.79815e+05   -1.71880e+04   -2.15094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21716e+04   -1.73056e+06    3.49741e+05   -1.38082e+06   -1.29908e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13879e+02   -2.11960e+02    1.06950e+01    4.01146e-06

           Step           Time
       11910000    23820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34097e+03    1.81077e+04    1.23315e+04    1.03607e+03   -2.75529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54288e+03    1.04315e+05    2.79068e+05   -1.71487e+04   -2.14946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21105e+04   -1.73051e+06    3.47757e+05   -1.38275e+06   -1.29908e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12098e+02   -2.10992e+02    4.43301e+00    3.90561e-06

           Step           Time
       11915000    23830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60107e+03    1.81588e+04    1.26027e+04    1.11361e+03   -2.84713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56671e+03    1.04005e+05    2.78701e+05   -1.71441e+04   -2.14710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21208e+04   -1.72823e+06    3.50757e+05   -1.37747e+06   -1.29906e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14791e+02   -2.10880e+02   -2.46890e+01    4.04113e-06

           Step           Time
       11920000    23840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74915e+03    1.84012e+04    1.23435e+04    1.07879e+03   -2.84768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38267e+03    1.04088e+05    2.79425e+05   -1.71553e+04   -2.14818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22379e+04   -1.72848e+06    3.48636e+05   -1.37984e+06   -1.29902e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12888e+02   -2.11156e+02    1.80957e+00    3.94407e-06

           Step           Time
       11925000    23850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84931e+03    1.85282e+04    1.24718e+04    1.11859e+03   -2.88171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35878e+03    1.04578e+05    2.79126e+05   -1.71218e+04   -2.14676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21226e+04   -1.72661e+06    3.50495e+05   -1.37612e+06   -1.29897e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14555e+02   -2.10331e+02    6.79611e+00    4.16833e-06

           Step           Time
       11930000    23860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75202e+03    1.81273e+04    1.24784e+04    1.09224e+03   -2.83497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49722e+03    1.04668e+05    2.78205e+05   -1.72318e+04   -2.15178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22103e+04   -1.73282e+06    3.47766e+05   -1.38505e+06   -1.29892e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12106e+02   -2.13041e+02   -4.09291e+00    3.82879e-06

           Step           Time
       11935000    23870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51590e+03    1.81900e+04    1.24296e+04    1.07203e+03   -2.71830e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47878e+03    1.04326e+05    2.80329e+05   -1.71451e+04   -2.14886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19600e+04   -1.72842e+06    3.47157e+05   -1.38126e+06   -1.29895e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11560e+02   -2.10903e+02    1.94641e+01    3.86313e-06

           Step           Time
       11940000    23880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49535e+03    1.79274e+04    1.23360e+04    1.00043e+03   -2.89508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47876e+03    1.05194e+05    2.80012e+05   -1.71938e+04   -2.15104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21621e+04   -1.73052e+06    3.48063e+05   -1.38246e+06   -1.29885e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12373e+02   -2.12103e+02    5.98237e+01    3.80183e-06

           Step           Time
       11945000    23890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34906e+03    1.81231e+04    1.24366e+04    1.07300e+03   -2.96585e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64816e+03    1.04747e+05    2.77734e+05   -1.71443e+04   -2.15055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20792e+04   -1.73247e+06    3.47528e+05   -1.38494e+06   -1.29882e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11893e+02   -2.10886e+02   -6.77462e+01    3.92194e-06

           Step           Time
       11950000    23900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38557e+03    1.78930e+04    1.26379e+04    1.11702e+03   -2.84620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57967e+03    1.04498e+05    2.79646e+05   -1.71746e+04   -2.14954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20935e+04   -1.72971e+06    3.47488e+05   -1.38222e+06   -1.29884e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11857e+02   -2.11631e+02    7.90129e+01    3.93636e-06

           Step           Time
       11955000    23910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48336e+03    1.85929e+04    1.25469e+04    1.08945e+03   -2.93555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49296e+03    1.04303e+05    2.80838e+05   -1.71750e+04   -2.15269e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20500e+04   -1.73141e+06    3.49219e+05   -1.38219e+06   -1.29875e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13411e+02   -2.11640e+02    5.15231e+01    3.90356e-06

           Step           Time
       11960000    23920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56158e+03    1.80936e+04    1.24149e+04    1.09317e+03   -2.90039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46516e+03    1.04622e+05    2.79742e+05   -1.71486e+04   -2.15059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20099e+04   -1.73064e+06    3.48288e+05   -1.38235e+06   -1.29874e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12575e+02   -2.10990e+02   -2.10254e+01    4.07261e-06

           Step           Time
       11965000    23930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49004e+03    1.82136e+04    1.22652e+04    1.16288e+03   -2.84486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52086e+03    1.05144e+05    2.80437e+05   -1.71563e+04   -2.15238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20896e+04   -1.73106e+06    3.49204e+05   -1.38185e+06   -1.29869e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13397e+02   -2.11180e+02    1.80039e+01    4.00500e-06

           Step           Time
       11970000    23940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69417e+03    1.81355e+04    1.25305e+04    1.12938e+03   -2.99482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44832e+03    1.05105e+05    2.80081e+05   -1.71956e+04   -2.14862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20803e+04   -1.72761e+06    3.47851e+05   -1.37976e+06   -1.29869e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12183e+02   -2.12147e+02    1.90944e+01    4.13118e-06

           Step           Time
       11975000    23950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69906e+03    1.82624e+04    1.23937e+04    1.08208e+03   -2.92998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40593e+03    1.04433e+05    2.79913e+05   -1.71552e+04   -2.15092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21469e+04   -1.73067e+06    3.48862e+05   -1.38181e+06   -1.29866e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13090e+02   -2.11152e+02   -3.92984e+01    3.96221e-06

           Step           Time
       11980000    23960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71187e+03    1.82794e+04    1.24311e+04    1.13560e+03   -2.82661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49960e+03    1.04613e+05    2.80259e+05   -1.71469e+04   -2.15360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20984e+04   -1.73254e+06    3.49177e+05   -1.38337e+06   -1.29864e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13373e+02   -2.10949e+02   -5.42681e+01    3.97640e-06

           Step           Time
       11985000    23970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73491e+03    1.81853e+04    1.24578e+04    1.04367e+03   -2.86684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50379e+03    1.04570e+05    2.78031e+05   -1.72177e+04   -2.14711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21728e+04   -1.72850e+06    3.48553e+05   -1.37994e+06   -1.29860e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12813e+02   -2.12692e+02    7.01567e+00    3.93550e-06

           Step           Time
       11990000    23980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37094e+03    1.85154e+04    1.23465e+04    1.11076e+03   -2.88014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54463e+03    1.04870e+05    2.78867e+05   -1.71786e+04   -2.14826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20399e+04   -1.72865e+06    3.48261e+05   -1.38039e+06   -1.29853e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12551e+02   -2.11728e+02    8.60622e+01    3.91511e-06

           Step           Time
       11995000    23990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60894e+03    1.80657e+04    1.24460e+04    1.15425e+03   -2.85690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43357e+03    1.05062e+05    2.80490e+05   -1.72107e+04   -2.15264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21499e+04   -1.73130e+06    3.48003e+05   -1.38330e+06   -1.29856e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12319e+02   -2.12520e+02    4.72636e+01    3.73310e-06

           Step           Time
       12000000    24000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51053e+03    1.81288e+04    1.24318e+04    1.09666e+03   -2.90198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49374e+03    1.05045e+05    2.79124e+05   -1.71308e+04   -2.14916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21428e+04   -1.72921e+06    3.48108e+05   -1.38111e+06   -1.29850e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12413e+02   -2.10553e+02   -3.68693e+01    3.93189e-06

           Step           Time
       12005000    24010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47392e+03    1.80944e+04    1.24789e+04    1.19638e+03   -2.98588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50178e+03    1.04537e+05    2.79039e+05   -1.71667e+04   -2.14982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20904e+04   -1.73056e+06    3.50692e+05   -1.37987e+06   -1.29855e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14733e+02   -2.11434e+02    5.04609e+01    4.04822e-06

           Step           Time
       12010000    24020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33318e+03    1.82843e+04    1.23580e+04    1.09329e+03   -2.85133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54843e+03    1.04407e+05    2.78211e+05   -1.71878e+04   -2.14648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22441e+04   -1.72804e+06    3.49449e+05   -1.37859e+06   -1.29845e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13617e+02   -2.11954e+02    3.28387e+01    4.06590e-06

           Step           Time
       12015000    24030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52060e+03    1.83752e+04    1.23535e+04    1.13827e+03   -2.77120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53134e+03    1.04743e+05    2.76888e+05   -1.71417e+04   -2.14478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20487e+04   -1.72709e+06    3.48888e+05   -1.37820e+06   -1.29841e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13114e+02   -2.10821e+02   -1.62100e+02    3.98908e-06

           Step           Time
       12020000    24040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49087e+03    1.84180e+04    1.25441e+04    1.12030e+03   -2.89424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42426e+03    1.04586e+05    2.79643e+05   -1.71431e+04   -2.15013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21104e+04   -1.72983e+06    3.48706e+05   -1.38112e+06   -1.29838e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12950e+02   -2.10854e+02    2.54254e+00    4.09117e-06

           Step           Time
       12025000    24050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39483e+03    1.83431e+04    1.25876e+04    1.15585e+03   -2.84475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52967e+03    1.04334e+05    2.79890e+05   -1.71549e+04   -2.15051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20414e+04   -1.73023e+06    3.47879e+05   -1.38235e+06   -1.29836e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12208e+02   -2.11144e+02   -5.30454e+00    3.96412e-06

           Step           Time
       12030000    24060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52187e+03    1.83011e+04    1.23626e+04    1.15577e+03   -2.90175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52204e+03    1.04574e+05    2.76426e+05   -1.71923e+04   -2.14781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21899e+04   -1.73085e+06    3.50178e+05   -1.38067e+06   -1.29837e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14271e+02   -2.12065e+02   -7.32532e+01    4.03102e-06

           Step           Time
       12035000    24070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40208e+03    1.84884e+04    1.23834e+04    1.19114e+03   -2.85633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47653e+03    1.04739e+05    2.76080e+05   -1.71237e+04   -2.14529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21518e+04   -1.72835e+06    3.49283e+05   -1.37907e+06   -1.29832e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13468e+02   -2.10379e+02   -1.33399e+02    3.93433e-06

           Step           Time
       12040000    24080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51555e+03    1.81153e+04    1.24221e+04    1.03558e+03   -2.77183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58251e+03    1.04832e+05    2.79673e+05   -1.71777e+04   -2.15040e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20131e+04   -1.73016e+06    3.48092e+05   -1.38207e+06   -1.29829e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12399e+02   -2.11705e+02    2.54111e+01    3.89034e-06

           Step           Time
       12045000    24090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61997e+03    1.79366e+04    1.23906e+04    1.08754e+03   -2.77277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44706e+03    1.04247e+05    2.79153e+05   -1.71956e+04   -2.15073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20194e+04   -1.73180e+06    3.48801e+05   -1.38300e+06   -1.29825e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13035e+02   -2.12146e+02   -2.84233e+01    3.90757e-06

           Step           Time
       12050000    24100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63252e+03    1.84093e+04    1.23445e+04    1.00282e+03   -2.78833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61279e+03    1.04573e+05    2.79262e+05   -1.71508e+04   -2.15100e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21657e+04   -1.73093e+06    3.49241e+05   -1.38169e+06   -1.29818e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13431e+02   -2.11043e+02    1.19347e+01    4.00069e-06

           Step           Time
       12055000    24110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69412e+03    1.85883e+04    1.25188e+04    1.17465e+03   -2.90177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47020e+03    1.04437e+05    2.78433e+05   -1.71661e+04   -2.14854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21436e+04   -1.72915e+06    3.48313e+05   -1.38083e+06   -1.29817e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12597e+02   -2.11420e+02   -2.09129e+01    4.06767e-06

           Step           Time
       12060000    24120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69696e+03    1.80567e+04    1.24098e+04    1.11296e+03   -2.78807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42474e+03    1.04863e+05    2.79499e+05   -1.71846e+04   -2.14918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22240e+04   -1.72887e+06    3.49070e+05   -1.37980e+06   -1.29815e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13277e+02   -2.11876e+02   -2.60231e+00    3.96836e-06

           Step           Time
       12065000    24130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67177e+03    1.80723e+04    1.26976e+04    1.09919e+03   -2.92458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37319e+03    1.04610e+05    2.79610e+05   -1.71419e+04   -2.15043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19779e+04   -1.73038e+06    3.48751e+05   -1.38163e+06   -1.29813e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12991e+02   -2.10826e+02   -1.19378e+01    3.93261e-06

           Step           Time
       12070000    24140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69481e+03    1.81723e+04    1.23566e+04    1.01202e+03   -2.85200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52499e+03    1.04950e+05    2.80521e+05   -1.71968e+04   -2.15207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19789e+04   -1.73091e+06    3.47460e+05   -1.38345e+06   -1.29805e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11832e+02   -2.12176e+02    2.15632e+01    3.84940e-06

           Step           Time
       12075000    24150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52844e+03    1.83721e+04    1.26474e+04    1.04770e+03   -2.95634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34914e+03    1.04994e+05    2.77290e+05   -1.71562e+04   -2.14690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21410e+04   -1.72864e+06    3.47926e+05   -1.38072e+06   -1.29806e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12250e+02   -2.11178e+02   -1.31217e+02    3.89645e-06

           Step           Time
       12080000    24160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49199e+03    1.80494e+04    1.21808e+04    1.16548e+03   -2.71629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47840e+03    1.04824e+05    2.78396e+05   -1.71201e+04   -2.14702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20853e+04   -1.72818e+06    3.48054e+05   -1.38013e+06   -1.29802e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12365e+02   -2.10289e+02   -4.17654e+01    4.01620e-06

           Step           Time
       12085000    24170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69593e+03    1.84124e+04    1.24100e+04    1.11517e+03   -2.80471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52261e+03    1.04892e+05    2.78296e+05   -1.71926e+04   -2.14672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22267e+04   -1.72714e+06    3.49067e+05   -1.37808e+06   -1.29796e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13274e+02   -2.12073e+02    6.05169e+01    3.98883e-06

           Step           Time
       12090000    24180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.23696e+03    1.88503e+04    1.23839e+04    1.07865e+03   -2.91341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50611e+03    1.04539e+05    2.80389e+05   -1.71346e+04   -2.15138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22306e+04   -1.73021e+06    3.50020e+05   -1.38019e+06   -1.29793e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14129e+02   -2.10645e+02    5.28882e+01    3.94745e-06

           Step           Time
       12095000    24190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47304e+03    1.83241e+04    1.25098e+04    1.06135e+03   -2.86474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53589e+03    1.04601e+05    2.80922e+05   -1.71703e+04   -2.15084e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20600e+04   -1.72938e+06    3.48743e+05   -1.38064e+06   -1.29794e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12984e+02   -2.11525e+02    1.32720e+02    4.02759e-06

           Step           Time
       12100000    24200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56766e+03    1.87370e+04    1.28323e+04    1.10427e+03   -2.76940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40839e+03    1.04595e+05    2.80406e+05   -1.71510e+04   -2.14936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22514e+04   -1.72738e+06    3.48766e+05   -1.37861e+06   -1.29782e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13004e+02   -2.11050e+02    1.34623e+01    3.91856e-06

           Step           Time
       12105000    24210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48523e+03    1.81896e+04    1.24202e+04    1.12368e+03   -2.78445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41939e+03    1.04710e+05    2.78117e+05   -1.71718e+04   -2.14907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21252e+04   -1.73043e+06    3.47548e+05   -1.38289e+06   -1.29786e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11911e+02   -2.11561e+02   -8.81911e+01    3.96246e-06

           Step           Time
       12110000    24220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41758e+03    1.85263e+04    1.24480e+04    1.05855e+03   -2.75557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52439e+03    1.04661e+05    2.78911e+05   -1.71578e+04   -2.14946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20912e+04   -1.72974e+06    3.48843e+05   -1.38089e+06   -1.29780e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13073e+02   -2.11217e+02    6.92972e+01    3.98252e-06

           Step           Time
       12115000    24230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66437e+03    1.79055e+04    1.24108e+04    1.09730e+03   -2.78776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41703e+03    1.04794e+05    2.78953e+05   -1.71740e+04   -2.14811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20493e+04   -1.72878e+06    3.48362e+05   -1.38041e+06   -1.29782e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12642e+02   -2.11616e+02    1.69603e+01    3.85139e-06

           Step           Time
       12120000    24240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48087e+03    1.83019e+04    1.22762e+04    9.77398e+02   -2.89965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49395e+03    1.05195e+05    2.78419e+05   -1.71747e+04   -2.14906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19902e+04   -1.73000e+06    3.47887e+05   -1.38211e+06   -1.29780e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12215e+02   -2.11633e+02    1.62963e+00    3.93639e-06

           Step           Time
       12125000    24250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40322e+03    1.81773e+04    1.23175e+04    1.00682e+03   -2.83882e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59826e+03    1.05058e+05    2.79472e+05   -1.72075e+04   -2.15170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20832e+04   -1.73162e+06    3.48805e+05   -1.38282e+06   -1.29777e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13039e+02   -2.12441e+02    4.17334e+01    3.90639e-06

           Step           Time
       12130000    24260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47659e+03    1.84436e+04    1.23913e+04    1.08424e+03   -2.75820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66230e+03    1.04601e+05    2.81719e+05   -1.71544e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19519e+04   -1.73151e+06    3.47586e+05   -1.38393e+06   -1.29766e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11945e+02   -2.11132e+02    9.68208e+01    3.89744e-06

           Step           Time
       12135000    24270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66000e+03    1.85018e+04    1.24002e+04    1.05069e+03   -2.82890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51179e+03    1.04767e+05    2.78236e+05   -1.71654e+04   -2.14756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20594e+04   -1.72837e+06    3.48917e+05   -1.37945e+06   -1.29768e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13140e+02   -2.11402e+02   -3.07778e+00    3.94650e-06

           Step           Time
       12140000    24280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74044e+03    1.80778e+04    1.24110e+04    1.15788e+03   -2.84237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40342e+03    1.04454e+05    2.77057e+05   -1.71345e+04   -2.14696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21321e+04   -1.72950e+06    3.46089e+05   -1.38341e+06   -1.29763e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10601e+02   -2.10643e+02   -1.82327e+02    3.97627e-06

           Step           Time
       12145000    24290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50274e+03    1.84041e+04    1.22497e+04    1.05548e+03   -2.73723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48635e+03    1.04519e+05    2.77351e+05   -1.71897e+04   -2.14719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19459e+04   -1.72960e+06    3.48585e+05   -1.38101e+06   -1.29765e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12841e+02   -2.12002e+02   -2.97128e+01    3.97650e-06

           Step           Time
       12150000    24300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46223e+03    1.84079e+04    1.22322e+04    1.08953e+03   -2.89515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45535e+03    1.04542e+05    2.78946e+05   -1.71228e+04   -2.14604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19049e+04   -1.72702e+06    3.48737e+05   -1.37828e+06   -1.29764e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12978e+02   -2.10356e+02   -5.05621e+01    3.89734e-06

           Step           Time
       12155000    24310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34533e+03    1.81941e+04    1.24074e+04    9.84286e+02   -2.72047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51665e+03    1.04461e+05    2.77823e+05   -1.71803e+04   -2.14857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21008e+04   -1.73063e+06    3.45766e+05   -1.38487e+06   -1.29752e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10312e+02   -2.11769e+02   -7.00655e+01    3.96940e-06

           Step           Time
       12160000    24320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63214e+03    1.84398e+04    1.24365e+04    1.14919e+03   -2.79430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54017e+03    1.04177e+05    2.76446e+05   -1.71432e+04   -2.14425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19331e+04   -1.72743e+06    3.48469e+05   -1.37897e+06   -1.29754e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12737e+02   -2.10858e+02   -1.13979e+02    3.99082e-06

           Step           Time
       12165000    24330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54338e+03    1.76623e+04    1.25135e+04    1.09384e+03   -2.86930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60433e+03    1.04124e+05    2.77437e+05   -1.71504e+04   -2.14702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20167e+04   -1.73004e+06    3.49456e+05   -1.38059e+06   -1.29754e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13623e+02   -2.11036e+02   -9.70290e+01    3.96588e-06

           Step           Time
       12170000    24340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65121e+03    1.88127e+04    1.23877e+04    1.07266e+03   -2.81626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33507e+03    1.03597e+05    2.77504e+05   -1.71461e+04   -2.14401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21994e+04   -1.72641e+06    3.48655e+05   -1.37776e+06   -1.29747e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12904e+02   -2.10929e+02   -1.26416e+02    3.96862e-06

           Step           Time
       12175000    24350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75241e+03    1.83516e+04    1.24500e+04    1.09618e+03   -2.88061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41935e+03    1.03835e+05    2.78571e+05   -1.71410e+04   -2.14645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20353e+04   -1.72796e+06    3.48806e+05   -1.37915e+06   -1.29740e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13039e+02   -2.10803e+02   -2.62974e+01    3.92202e-06

           Step           Time
       12180000    24360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57826e+03    1.81533e+04    1.24325e+04    1.06388e+03   -2.80596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50391e+03    1.04431e+05    2.79516e+05   -1.71860e+04   -2.15062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20910e+04   -1.73085e+06    3.48727e+05   -1.38212e+06   -1.29733e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12969e+02   -2.11910e+02    1.78079e+00    3.91069e-06

           Step           Time
       12185000    24370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58785e+03    1.80870e+04    1.23997e+04    1.06597e+03   -2.81475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66087e+03    1.04106e+05    2.82066e+05   -1.71872e+04   -2.15332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20442e+04   -1.73131e+06    3.47985e+05   -1.38332e+06   -1.29732e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12303e+02   -2.11939e+02    1.64303e+02    4.18164e-06

           Step           Time
       12190000    24380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59663e+03    1.85726e+04    1.23588e+04    1.07606e+03   -2.79145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49282e+03    1.03729e+05    2.79186e+05   -1.71867e+04   -2.14868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21425e+04   -1.72950e+06    3.50186e+05   -1.37931e+06   -1.29736e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14278e+02   -2.11928e+02   -1.28509e+01    4.06232e-06

           Step           Time
       12195000    24390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35675e+03    1.88176e+04    1.24142e+04    1.21722e+03   -2.72700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50545e+03    1.04209e+05    2.78138e+05   -1.71943e+04   -2.14580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21533e+04   -1.72691e+06    3.51270e+05   -1.37564e+06   -1.29733e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15251e+02   -2.12114e+02    4.86284e+01    3.99266e-06

           Step           Time
       12200000    24400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72771e+03    1.83416e+04    1.23157e+04    1.12137e+03   -2.80635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39711e+03    1.03907e+05    2.78870e+05   -1.71295e+04   -2.14835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22539e+04   -1.72935e+06    3.49420e+05   -1.37993e+06   -1.29729e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13591e+02   -2.10520e+02   -6.70989e+01    3.91004e-06

           Step           Time
       12205000    24410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33119e+03    1.79757e+04    1.24758e+04    1.08916e+03   -2.73457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68174e+03    1.04312e+05    2.79038e+05   -1.71351e+04   -2.14910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23059e+04   -1.72976e+06    3.48279e+05   -1.38148e+06   -1.29724e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12567e+02   -2.10658e+02   -2.36939e+00    4.09387e-06

           Step           Time
       12210000    24420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52751e+03    1.83765e+04    1.25594e+04    1.09341e+03   -2.84422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59738e+03    1.04182e+05    2.78224e+05   -1.71769e+04   -2.14779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19981e+04   -1.72925e+06    3.48895e+05   -1.38036e+06   -1.29719e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13120e+02   -2.11686e+02    6.66972e+01    3.84720e-06

           Step           Time
       12215000    24430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48233e+03    1.84285e+04    1.23100e+04    1.15476e+03   -2.80604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44105e+03    1.04119e+05    2.78053e+05   -1.71272e+04   -2.14557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23240e+04   -1.72719e+06    3.50744e+05   -1.37645e+06   -1.29720e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14779e+02   -2.10465e+02   -3.81856e+01    4.03728e-06

           Step           Time
       12220000    24440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38895e+03    1.83310e+04    1.23841e+04    1.08410e+03   -2.91829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52436e+03    1.04150e+05    2.76969e+05   -1.71577e+04   -2.14626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20555e+04   -1.72945e+06    3.48663e+05   -1.38078e+06   -1.29713e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12911e+02   -2.11214e+02   -4.77393e+01    4.07401e-06

           Step           Time
       12225000    24450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45101e+03    1.83147e+04    1.24763e+04    1.04506e+03   -2.85530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64835e+03    1.04078e+05    2.83054e+05   -1.71587e+04   -2.15352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21543e+04   -1.73031e+06    3.50368e+05   -1.37994e+06   -1.29708e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14442e+02   -2.11239e+02    1.92532e+02    3.91395e-06

           Step           Time
       12230000    24460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51839e+03    1.86233e+04    1.25881e+04    1.09056e+03   -2.78517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54902e+03    1.03763e+05    2.77850e+05   -1.71526e+04   -2.14484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22384e+04   -1.72656e+06    3.47777e+05   -1.37878e+06   -1.29705e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12116e+02   -2.11088e+02    3.47953e+01    3.96104e-06

           Step           Time
       12235000    24470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40386e+03    1.83711e+04    1.25452e+04    1.10838e+03   -2.81879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52198e+03    1.03641e+05    2.81494e+05   -1.71505e+04   -2.14983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21791e+04   -1.72853e+06    3.48590e+05   -1.37994e+06   -1.29703e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12846e+02   -2.11038e+02    8.51935e+01    4.18781e-06

           Step           Time
       12240000    24480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59115e+03    1.83588e+04    1.23912e+04    1.02912e+03   -2.86504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51541e+03    1.03672e+05    2.79527e+05   -1.71564e+04   -2.14758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22177e+04   -1.72830e+06    3.48707e+05   -1.37959e+06   -1.29704e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12951e+02   -2.11182e+02    2.61616e+01    4.14699e-06

           Step           Time
       12245000    24490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53339e+03    1.87866e+04    1.23229e+04    1.06231e+03   -2.88471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44681e+03    1.03624e+05    2.77291e+05   -1.71558e+04   -2.14461e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20778e+04   -1.72750e+06    3.48448e+05   -1.37906e+06   -1.29697e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12719e+02   -2.11167e+02   -3.91151e+01    4.08349e-06

           Step           Time
       12250000    24500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45543e+03    1.86159e+04    1.23343e+04    1.06485e+03   -2.89041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53326e+03    1.03733e+05    2.78616e+05   -1.71922e+04   -2.14570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21083e+04   -1.72732e+06    3.49864e+05   -1.37745e+06   -1.29694e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13989e+02   -2.12063e+02    5.77965e+01    3.78949e-06

           Step           Time
       12255000    24510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48730e+03    1.81714e+04    1.26245e+04    1.10664e+03   -2.86321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54608e+03    1.03819e+05    2.82223e+05   -1.71919e+04   -2.15353e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21396e+04   -1.73147e+06    3.47173e+05   -1.38430e+06   -1.29690e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11574e+02   -2.12055e+02    5.83546e+01    3.99261e-06

           Step           Time
       12260000    24520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45841e+03    1.80464e+04    1.25038e+04    1.06634e+03   -2.89588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63430e+03    1.04610e+05    2.81276e+05   -1.71601e+04   -2.15277e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20716e+04   -1.73116e+06    3.49504e+05   -1.38166e+06   -1.29686e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13666e+02   -2.11273e+02    1.30007e+02    3.95298e-06

           Step           Time
       12265000    24530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74504e+03    1.85146e+04    1.25510e+04    1.00058e+03   -2.78965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50837e+03    1.03708e+05    2.77158e+05   -1.71452e+04   -2.14435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20241e+04   -1.72708e+06    3.51306e+05   -1.37577e+06   -1.29689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15284e+02   -2.10907e+02   -5.39529e+01    3.93364e-06

           Step           Time
       12270000    24540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58642e+03    1.83546e+04    1.23429e+04    1.14153e+03   -2.85211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50242e+03    1.03845e+05    2.76569e+05   -1.71198e+04   -2.14340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22366e+04   -1.72679e+06    3.47396e+05   -1.37940e+06   -1.29683e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11774e+02   -2.10284e+02   -5.43604e+01    3.99585e-06

           Step           Time
       12275000    24550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62687e+03    1.83361e+04    1.24071e+04    1.09241e+03   -2.92334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54258e+03    1.04295e+05    2.77843e+05   -1.71521e+04   -2.14696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20518e+04   -1.72884e+06    3.48982e+05   -1.37985e+06   -1.29681e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13198e+02   -2.11077e+02   -5.27303e+01    4.00777e-06

           Step           Time
       12280000    24560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47505e+03    1.82003e+04    1.23997e+04    1.12947e+03   -2.87679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59583e+03    1.04373e+05    2.80332e+05   -1.71384e+04   -2.15117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19843e+04   -1.73070e+06    3.48515e+05   -1.38218e+06   -1.29677e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12779e+02   -2.10738e+02   -2.19918e+00    3.92180e-06

           Step           Time
       12285000    24570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65125e+03    1.82720e+04    1.25926e+04    1.23857e+03   -2.93906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46344e+03    1.03652e+05    2.78412e+05   -1.71856e+04   -2.14840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20325e+04   -1.73021e+06    3.47363e+05   -1.38284e+06   -1.29677e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11744e+02   -2.11901e+02   -3.62244e+00    3.84709e-06

           Step           Time
       12290000    24580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72872e+03    1.84691e+04    1.23456e+04    1.08708e+03   -2.82604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43152e+03    1.03995e+05    2.80208e+05   -1.71787e+04   -2.15194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20370e+04   -1.73165e+06    3.50199e+05   -1.38145e+06   -1.29672e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14290e+02   -2.11730e+02   -3.30899e+01    4.08715e-06

           Step           Time
       12295000    24590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46230e+03    1.85905e+04    1.24964e+04    1.13733e+03   -2.82942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46942e+03    1.04286e+05    2.79787e+05   -1.71799e+04   -2.15124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20093e+04   -1.73101e+06    3.50470e+05   -1.38054e+06   -1.29670e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14534e+02   -2.11760e+02    3.54250e+01    3.94814e-06

           Step           Time
       12300000    24600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62768e+03    1.80145e+04    1.23430e+04    1.03361e+03   -2.87526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47159e+03    1.04138e+05    2.78644e+05   -1.71600e+04   -2.14822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21258e+04   -1.72986e+06    3.49250e+05   -1.38061e+06   -1.29669e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13438e+02   -2.11270e+02   -4.49183e+01    3.84075e-06

           Step           Time
       12305000    24610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65485e+03    1.83342e+04    1.25211e+04    1.08132e+03   -2.80919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42225e+03    1.04099e+05    2.77877e+05   -1.71350e+04   -2.14931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19982e+04   -1.73127e+06    3.46800e+05   -1.38447e+06   -1.29659e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11239e+02   -2.10656e+02   -1.42689e+02    3.86329e-06

           Step           Time
       12310000    24620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70132e+03    1.84934e+04    1.24077e+04    1.09735e+03   -2.80227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45448e+03    1.04125e+05    2.79690e+05   -1.71527e+04   -2.14871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20763e+04   -1.72862e+06    3.48034e+05   -1.38058e+06   -1.29655e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12347e+02   -2.11090e+02    4.23332e+01    4.29874e-06

           Step           Time
       12315000    24630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55820e+03    1.84617e+04    1.24339e+04    1.12996e+03   -2.84176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48900e+03    1.04063e+05    2.79552e+05   -1.71700e+04   -2.14937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23454e+04   -1.72935e+06    3.50152e+05   -1.37920e+06   -1.29655e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14248e+02   -2.11517e+02    9.32839e+01    3.94609e-06

           Step           Time
       12320000    24640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82257e+03    1.82995e+04    1.23728e+04    1.13575e+03   -2.81225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44420e+03    1.03727e+05    2.79997e+05   -1.71625e+04   -2.14949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20432e+04   -1.72962e+06    3.49537e+05   -1.38008e+06   -1.29650e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13696e+02   -2.11332e+02   -1.22986e+01    3.94646e-06

           Step           Time
       12325000    24650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52404e+03    1.81470e+04    1.24841e+04    1.08167e+03   -2.92265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56846e+03    1.03839e+05    2.80569e+05   -1.71421e+04   -2.14987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21544e+04   -1.72957e+06    3.49280e+05   -1.38029e+06   -1.29647e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13465e+02   -2.10829e+02    9.34785e+01    4.02863e-06

           Step           Time
       12330000    24660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51527e+03    1.87397e+04    1.26355e+04    1.08478e+03   -2.86620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56625e+03    1.04143e+05    2.76756e+05   -1.71341e+04   -2.14310e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20133e+04   -1.72564e+06    3.50157e+05   -1.37549e+06   -1.29639e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14253e+02   -2.10633e+02   -3.49905e+01    4.02422e-06

           Step           Time
       12335000    24670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50083e+03    1.83309e+04    1.25578e+04    1.05141e+03   -2.91329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58500e+03    1.04463e+05    2.80412e+05   -1.71720e+04   -2.14988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21377e+04   -1.72893e+06    3.48730e+05   -1.38020e+06   -1.29634e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12972e+02   -2.11566e+02    9.52597e+01    4.02227e-06

           Step           Time
       12340000    24680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48263e+03    1.79885e+04    1.23866e+04    1.12307e+03   -2.71276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58807e+03    1.04602e+05    2.78241e+05   -1.71511e+04   -2.14819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21239e+04   -1.72951e+06    3.49105e+05   -1.38041e+06   -1.29631e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13308e+02   -2.11050e+02   -2.60894e+01    3.93419e-06

           Step           Time
       12345000    24690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43993e+03    1.85419e+04    1.23822e+04    1.11918e+03   -2.74843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61100e+03    1.04401e+05    2.79045e+05   -1.71451e+04   -2.14870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20813e+04   -1.72897e+06    3.49502e+05   -1.37947e+06   -1.29628e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13665e+02   -2.10903e+02    1.85527e+01    4.12140e-06

           Step           Time
       12350000    24700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60117e+03    1.82373e+04    1.24128e+04    1.07871e+03   -2.80390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52517e+03    1.04080e+05    2.79287e+05   -1.71675e+04   -2.15195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21722e+04   -1.73252e+06    3.49679e+05   -1.38285e+06   -1.29630e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13823e+02   -2.11455e+02   -7.65916e+01    3.89976e-06

           Step           Time
       12355000    24710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59534e+03    1.84058e+04    1.25021e+04    1.11432e+03   -2.76690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53072e+03    1.03889e+05    2.78126e+05   -1.71526e+04   -2.14857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21438e+04   -1.73018e+06    3.50707e+05   -1.37947e+06   -1.29630e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14746e+02   -2.11087e+02   -5.32406e+01    3.94072e-06

           Step           Time
       12360000    24720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59097e+03    1.85755e+04    1.22742e+04    1.12385e+03   -2.89681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45001e+03    1.04096e+05    2.80160e+05   -1.71593e+04   -2.15011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20548e+04   -1.72984e+06    3.47755e+05   -1.38209e+06   -1.29620e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12097e+02   -2.11253e+02   -2.39110e+01    3.96180e-06

           Step           Time
       12365000    24730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41082e+03    1.81960e+04    1.23342e+04    1.15765e+03   -2.80187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47003e+03    1.04059e+05    2.79629e+05   -1.71378e+04   -2.15107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20112e+04   -1.73174e+06    3.47605e+05   -1.38414e+06   -1.29622e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11962e+02   -2.10726e+02   -5.95119e+01    3.87040e-06

           Step           Time
       12370000    24740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34637e+03    1.81025e+04    1.26101e+04    9.91782e+02   -2.85586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53371e+03    1.04261e+05    2.79246e+05   -1.71738e+04   -2.14793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23420e+04   -1.72853e+06    3.48291e+05   -1.38024e+06   -1.29625e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12578e+02   -2.11609e+02    8.40967e+01    4.09241e-06

           Step           Time
       12375000    24750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49368e+03    1.82485e+04    1.25048e+04    1.05432e+03   -2.76737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45130e+03    1.04814e+05    2.79938e+05   -1.71425e+04   -2.15227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19741e+04   -1.73170e+06    3.46152e+05   -1.38554e+06   -1.29618e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10658e+02   -2.10840e+02   -4.23529e+01    3.91946e-06

           Step           Time
       12380000    24760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41451e+03    1.83185e+04    1.21637e+04    1.09725e+03   -2.73229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58521e+03    1.04307e+05    2.79554e+05   -1.71719e+04   -2.14934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23005e+04   -1.72950e+06    3.47055e+05   -1.38245e+06   -1.29612e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11468e+02   -2.11563e+02    4.02507e+01    3.95899e-06

           Step           Time
       12385000    24770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56537e+03    1.81018e+04    1.25854e+04    1.11853e+03   -2.86986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58209e+03    1.03979e+05    2.79449e+05   -1.71678e+04   -2.14857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21807e+04   -1.72904e+06    3.49411e+05   -1.37963e+06   -1.29613e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13583e+02   -2.11462e+02    1.02548e+02    3.92506e-06

           Step           Time
       12390000    24780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43324e+03    1.85760e+04    1.24462e+04    1.16814e+03   -2.71675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35131e+03    1.04120e+05    2.80366e+05   -1.71757e+04   -2.15150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20077e+04   -1.73092e+06    3.49099e+05   -1.38182e+06   -1.29609e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13303e+02   -2.11656e+02   -1.66408e+01    3.88498e-06

           Step           Time
       12395000    24790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60604e+03    1.83125e+04    1.22998e+04    1.07270e+03   -2.83231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46018e+03    1.04433e+05    2.77256e+05   -1.71449e+04   -2.14787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22739e+04   -1.73013e+06    3.49286e+05   -1.38085e+06   -1.29610e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13471e+02   -2.10900e+02   -1.13681e+02    4.03421e-06

           Step           Time
       12400000    24800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50861e+03    1.82844e+04    1.24763e+04    1.24245e+03   -2.80512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50157e+03    1.04303e+05    2.78886e+05   -1.71327e+04   -2.14812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22867e+04   -1.72857e+06    3.48380e+05   -1.38019e+06   -1.29604e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12658e+02   -2.10599e+02    5.57209e-01    3.96136e-06

           Step           Time
       12405000    24810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63064e+03    1.79221e+04    1.25412e+04    1.07092e+03   -2.77733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52665e+03    1.04023e+05    2.78865e+05   -1.71553e+04   -2.14866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19895e+04   -1.73002e+06    3.49611e+05   -1.38041e+06   -1.29605e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13762e+02   -2.11155e+02   -3.96751e+01    3.95615e-06

           Step           Time
       12410000    24820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42562e+03    1.85870e+04    1.23643e+04    1.07992e+03   -2.78786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44364e+03    1.04171e+05    2.81363e+05   -1.71608e+04   -2.15202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21571e+04   -1.73038e+06    3.47920e+05   -1.38246e+06   -1.29600e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12244e+02   -2.11290e+02    1.95020e+01    4.00493e-06

           Step           Time
       12415000    24830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54738e+03    1.80734e+04    1.26014e+04    1.16843e+03   -2.78011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55261e+03    1.03898e+05    2.82178e+05   -1.71720e+04   -2.15210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22794e+04   -1.72975e+06    3.47924e+05   -1.38183e+06   -1.29599e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12249e+02   -2.11567e+02    1.09903e+02    4.01643e-06

           Step           Time
       12420000    24840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48839e+03    1.81949e+04    1.26174e+04    1.09479e+03   -2.81372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55377e+03    1.04582e+05    2.78013e+05   -1.71700e+04   -2.14895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19977e+04   -1.73039e+06    3.50183e+05   -1.38020e+06   -1.29593e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14276e+02   -2.11516e+02   -1.98617e+01    3.94576e-06

           Step           Time
       12425000    24850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50452e+03    1.85262e+04    1.23725e+04    1.19609e+03   -2.79107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61379e+03    1.04137e+05    2.77293e+05   -1.71648e+04   -2.14628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21121e+04   -1.72848e+06    3.49446e+05   -1.37903e+06   -1.29588e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13614e+02   -2.11388e+02   -1.38736e+00    3.86273e-06

           Step           Time
       12430000    24860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46199e+03    1.84576e+04    1.24270e+04    1.12115e+03   -2.81080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56320e+03    1.04114e+05    2.76635e+05   -1.71414e+04   -2.14400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19396e+04   -1.72723e+06    3.48569e+05   -1.37866e+06   -1.29584e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12827e+02   -2.10814e+02   -2.89945e+01    3.93023e-06

           Step           Time
       12435000    24870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50549e+03    1.82462e+04    1.25687e+04    1.00347e+03   -2.88364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58168e+03    1.04582e+05    2.76612e+05   -1.71396e+04   -2.14608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21880e+04   -1.72881e+06    3.47989e+05   -1.38082e+06   -1.29578e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12307e+02   -2.10770e+02   -1.15860e+02    3.90279e-06

           Step           Time
       12440000    24880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39020e+03    1.84232e+04    1.25366e+04    1.13160e+03   -2.85438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55859e+03    1.04509e+05    2.80348e+05   -1.71842e+04   -2.15090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21893e+04   -1.72985e+06    3.49596e+05   -1.38026e+06   -1.29577e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13748e+02   -2.11865e+02    1.04283e+02    4.03500e-06

           Step           Time
       12445000    24890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65638e+03    1.80296e+04    1.24567e+04    1.08302e+03   -2.77681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49073e+03    1.04075e+05    2.79547e+05   -1.71905e+04   -2.15123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20903e+04   -1.73177e+06    3.48683e+05   -1.38309e+06   -1.29579e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12929e+02   -2.12022e+02   -8.33765e+00    3.96056e-06

           Step           Time
       12450000    24900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62496e+03    1.78541e+04    1.23335e+04    1.14772e+03   -2.78707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59422e+03    1.04345e+05    2.80853e+05   -1.71534e+04   -2.15276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22041e+04   -1.73174e+06    3.49046e+05   -1.38269e+06   -1.29569e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13255e+02   -2.11107e+02    5.08819e+01    3.81718e-06

           Step           Time
       12455000    24910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59368e+03    1.78430e+04    1.23362e+04    1.21640e+03   -2.83498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47362e+03    1.04189e+05    2.79043e+05   -1.71764e+04   -2.15043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21308e+04   -1.73162e+06    3.48394e+05   -1.38322e+06   -1.29566e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12670e+02   -2.11674e+02   -4.41345e+01    3.67849e-06

           Step           Time
       12460000    24920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42939e+03    1.86224e+04    1.25400e+04    1.09008e+03   -2.78648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50571e+03    1.04105e+05    2.77601e+05   -1.71249e+04   -2.14674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22027e+04   -1.72856e+06    3.49665e+05   -1.37889e+06   -1.29565e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13811e+02   -2.10408e+02   -5.18434e+01    3.85478e-06

           Step           Time
       12465000    24930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55873e+03    1.86675e+04    1.25796e+04    1.07350e+03   -2.75258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58626e+03    1.03862e+05    2.79125e+05   -1.72229e+04   -2.14837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20433e+04   -1.72885e+06    3.49030e+05   -1.37982e+06   -1.29552e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13241e+02   -2.12821e+02    8.41252e+01    3.80703e-06

           Step           Time
       12470000    24940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48498e+03    1.80073e+04    1.24985e+04    1.20342e+03   -2.73214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51142e+03    1.04400e+05    2.82403e+05   -1.71788e+04   -2.15422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20612e+04   -1.73156e+06    3.48768e+05   -1.38279e+06   -1.29554e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13006e+02   -2.11732e+02    1.01007e+02    3.84825e-06

           Step           Time
       12475000    24950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79735e+03    1.86345e+04    1.25179e+04    1.10872e+03   -2.79547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45296e+03    1.03773e+05    2.79659e+05   -1.71468e+04   -2.14998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21756e+04   -1.72980e+06    3.48986e+05   -1.38081e+06   -1.29546e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13201e+02   -2.10946e+02   -1.96595e+01    3.88715e-06

           Step           Time
       12480000    24960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75194e+03    1.82427e+04    1.22859e+04    1.10190e+03   -2.85378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48450e+03    1.04453e+05    2.77955e+05   -1.71279e+04   -2.14933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20984e+04   -1.73094e+06    3.50285e+05   -1.38065e+06   -1.29547e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14367e+02   -2.10482e+02   -7.05953e+01    3.88669e-06

           Step           Time
       12485000    24970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73667e+03    1.81408e+04    1.23336e+04    1.14712e+03   -2.74490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50399e+03    1.04545e+05    2.77834e+05   -1.71465e+04   -2.14705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20051e+04   -1.72869e+06    3.49931e+05   -1.37876e+06   -1.29548e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14050e+02   -2.10938e+02   -1.18476e+02    3.82133e-06

           Step           Time
       12490000    24980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33037e+03    1.82001e+04    1.23328e+04    1.14456e+03   -2.68946e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53692e+03    1.04683e+05    2.78679e+05   -1.71523e+04   -2.15132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22017e+04   -1.73206e+06    3.49582e+05   -1.38248e+06   -1.29544e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13736e+02   -2.11080e+02    1.88670e+01    3.94304e-06

           Step           Time
       12495000    24990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38811e+03    1.81612e+04    1.22934e+04    1.11050e+03   -2.77554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55550e+03    1.04557e+05    2.79850e+05   -1.71830e+04   -2.15190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21891e+04   -1.73175e+06    3.49368e+05   -1.38238e+06   -1.29544e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13544e+02   -2.11837e+02    6.57028e+01    3.94637e-06

           Step           Time
       12500000    25000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56638e+03    1.80989e+04    1.23485e+04    1.05892e+03   -2.67050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44521e+03    1.04319e+05    2.82063e+05   -1.71544e+04   -2.15003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21456e+04   -1.72781e+06    3.49887e+05   -1.37793e+06   -1.29541e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14010e+02   -2.11134e+02    1.20257e+02    3.87444e-06

           Step           Time
       12505000    25010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71190e+03    1.79690e+04    1.23589e+04    1.01392e+03   -2.81559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68617e+03    1.04967e+05    2.81151e+05   -1.72039e+04   -2.15366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19775e+04   -1.73185e+06    3.49283e+05   -1.38256e+06   -1.29532e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13468e+02   -2.12352e+02    2.16737e+02    3.98684e-06

           Step           Time
       12510000    25020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46968e+03    1.80021e+04    1.25298e+04    1.11343e+03   -2.88903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46328e+03    1.04622e+05    2.79262e+05   -1.71545e+04   -2.15019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20462e+04   -1.73072e+06    3.48748e+05   -1.38197e+06   -1.29532e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12988e+02   -2.11135e+02    1.64557e+00    3.88123e-06

           Step           Time
       12515000    25030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41835e+03    1.82145e+04    1.21795e+04    1.03607e+03   -2.75302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45679e+03    1.04129e+05    2.78045e+05   -1.71640e+04   -2.14769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19774e+04   -1.73015e+06    3.46679e+05   -1.38347e+06   -1.29529e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11131e+02   -2.11369e+02   -3.64401e+01    3.80556e-06

           Step           Time
       12520000    25040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42927e+03    1.86266e+04    1.24604e+04    1.11019e+03   -2.86121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45302e+03    1.04626e+05    2.77560e+05   -1.71616e+04   -2.14881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21282e+04   -1.73044e+06    3.47803e+05   -1.38264e+06   -1.29522e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12139e+02   -2.11310e+02   -1.30808e+02    3.97146e-06

           Step           Time
       12525000    25050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35996e+03    1.83705e+04    1.23784e+04    1.08639e+03   -2.85206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56956e+03    1.04193e+05    2.79810e+05   -1.71306e+04   -2.14988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21611e+04   -1.72993e+06    3.49489e+05   -1.38044e+06   -1.29522e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13653e+02   -2.10548e+02    1.48835e+01    3.96801e-06

           Step           Time
       12530000    25060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35819e+03    1.86559e+04    1.23217e+04    1.02200e+03   -2.78294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52515e+03    1.04075e+05    2.77834e+05   -1.71836e+04   -2.14835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22838e+04   -1.73024e+06    3.47985e+05   -1.38225e+06   -1.29517e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12303e+02   -2.11851e+02   -5.42217e+00    3.98259e-06

           Step           Time
       12535000    25070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44222e+03    1.82059e+04    1.23629e+04    1.01564e+03   -2.72788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43495e+03    1.05151e+05    2.80073e+05   -1.72079e+04   -2.15092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21190e+04   -1.73005e+06    3.47582e+05   -1.38246e+06   -1.29516e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11941e+02   -2.12451e+02    5.26741e+01    3.87456e-06

           Step           Time
       12540000    25080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60371e+03    1.84228e+04    1.25996e+04    1.09703e+03   -2.82465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47185e+03    1.04375e+05    2.79275e+05   -1.71925e+04   -2.15062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20226e+04   -1.73077e+06    3.48675e+05   -1.38209e+06   -1.29511e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12922e+02   -2.12071e+02   -9.03397e+01    3.76415e-06

           Step           Time
       12545000    25090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58909e+03    1.87828e+04    1.25383e+04    1.11226e+03   -2.86483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49331e+03    1.04173e+05    2.79599e+05   -1.72426e+04   -2.14969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19702e+04   -1.72954e+06    3.49400e+05   -1.38014e+06   -1.29508e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13573e+02   -2.13307e+02    8.67431e+01    3.95384e-06

           Step           Time
       12550000    25100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49456e+03    1.81870e+04    1.25738e+04    1.12328e+03   -2.88620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59892e+03    1.04828e+05    2.80574e+05   -1.71368e+04   -2.15038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22095e+04   -1.72881e+06    3.48399e+05   -1.38041e+06   -1.29508e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12675e+02   -2.10701e+02    1.52214e+01    3.91159e-06

           Step           Time
       12555000    25110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58930e+03    1.86668e+04    1.25649e+04    1.11060e+03   -2.79914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43045e+03    1.04773e+05    2.77366e+05   -1.71617e+04   -2.14629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21984e+04   -1.72755e+06    3.49274e+05   -1.37828e+06   -1.29499e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13460e+02   -2.11312e+02   -7.05291e+01    3.76218e-06

           Step           Time
       12560000    25120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46354e+03    1.81661e+04    1.24293e+04    1.10438e+03   -2.84184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47229e+03    1.04379e+05    2.80295e+05   -1.71690e+04   -2.15399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20636e+04   -1.73363e+06    3.49638e+05   -1.38399e+06   -1.29499e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13786e+02   -2.11492e+02   -1.88648e+01    3.87284e-06

           Step           Time
       12565000    25130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56418e+03    1.84409e+04    1.24865e+04    1.17361e+03   -2.79598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52610e+03    1.04524e+05    2.80080e+05   -1.71938e+04   -2.15161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19808e+04   -1.73082e+06    3.47852e+05   -1.38297e+06   -1.29493e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12184e+02   -2.12102e+02    7.52520e+01    3.95648e-06

           Step           Time
       12570000    25140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45290e+03    1.80805e+04    1.21846e+04    9.49291e+02   -2.80994e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54222e+03    1.04526e+05    2.79810e+05   -1.72132e+04   -2.15291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19997e+04   -1.73339e+06    3.48516e+05   -1.38487e+06   -1.29493e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12780e+02   -2.12580e+02    1.35793e+02    3.69133e-06

           Step           Time
       12575000    25150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72289e+03    1.78496e+04    1.26086e+04    1.07891e+03   -2.89487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46859e+03    1.04441e+05    2.78778e+05   -1.71279e+04   -2.14857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22580e+04   -1.72939e+06    3.46067e+05   -1.38332e+06   -1.29485e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10582e+02   -2.10482e+02   -8.12822e+01    4.02474e-06

Writing checkpoint, step 12579900 at Thu Dec  7 09:12:56 2023


           Step           Time
       12580000    25160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67369e+03    1.84903e+04    1.22768e+04    1.05014e+03   -2.76455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46441e+03    1.04284e+05    2.79642e+05   -1.71871e+04   -2.14952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19703e+04   -1.72962e+06    3.48921e+05   -1.38070e+06   -1.29483e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13143e+02   -2.11936e+02   -3.85269e+01    4.02165e-06

           Step           Time
       12585000    25170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69685e+03    1.81050e+04    1.22979e+04    1.03296e+03   -2.86189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50107e+03    1.04320e+05    2.80745e+05   -1.72116e+04   -2.15315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20635e+04   -1.73246e+06    3.48236e+05   -1.38422e+06   -1.29478e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12529e+02   -2.12541e+02    4.52877e+01    3.89907e-06

           Step           Time
       12590000    25180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59876e+03    1.87876e+04    1.24458e+04    1.08488e+03   -2.80647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49879e+03    1.04521e+05    2.78536e+05   -1.71498e+04   -2.14771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22255e+04   -1.72797e+06    3.49489e+05   -1.37848e+06   -1.29475e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13652e+02   -2.11019e+02   -2.42285e+01    3.77729e-06

           Step           Time
       12595000    25190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57916e+03    1.83341e+04    1.23786e+04    1.10367e+03   -2.87879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43390e+03    1.04199e+05    2.79954e+05   -1.71087e+04   -2.14968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22622e+04   -1.72942e+06    3.48180e+05   -1.38124e+06   -1.29473e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12478e+02   -2.10011e+02   -8.65612e+00    3.80051e-06

           Step           Time
       12600000    25200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65675e+03    1.82961e+04    1.24181e+04    1.09540e+03   -2.73625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53383e+03    1.04065e+05    2.81799e+05   -1.71707e+04   -2.15273e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22283e+04   -1.73055e+06    3.49919e+05   -1.38063e+06   -1.29467e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14039e+02   -2.11534e+02    5.62273e+01    3.81837e-06

           Step           Time
       12605000    25210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59071e+03    1.85768e+04    1.24381e+04    1.08401e+03   -2.87230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53802e+03    1.04212e+05    2.79866e+05   -1.71418e+04   -2.15041e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20621e+04   -1.73006e+06    3.50893e+05   -1.37916e+06   -1.29465e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14913e+02   -2.10822e+02    6.66512e+01    3.86162e-06

           Step           Time
       12610000    25220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81613e+03    1.80552e+04    1.24775e+04    1.09388e+03   -2.79260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49059e+03    1.04350e+05    2.80211e+05   -1.71818e+04   -2.15146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19987e+04   -1.73094e+06    3.49984e+05   -1.38096e+06   -1.29465e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14097e+02   -2.11808e+02   -1.68834e+00    3.92814e-06

           Step           Time
       12615000    25230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38918e+03    1.84510e+04    1.25263e+04    1.13578e+03   -2.86292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49284e+03    1.04209e+05    2.78182e+05   -1.71448e+04   -2.14699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21611e+04   -1.72845e+06    3.49718e+05   -1.37873e+06   -1.29461e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13858e+02   -2.10896e+02   -1.34208e+01    3.82313e-06

           Step           Time
       12620000    25240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71274e+03    1.84557e+04    1.25401e+04    1.03801e+03   -2.79314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57759e+03    1.04811e+05    2.79530e+05   -1.71560e+04   -2.15073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21581e+04   -1.72986e+06    3.49255e+05   -1.38060e+06   -1.29455e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13443e+02   -2.11171e+02    3.12687e+01    3.91287e-06

           Step           Time
       12625000    25250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81115e+03    1.84174e+04    1.22632e+04    1.07457e+03   -2.81538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49266e+03    1.04529e+05    2.78220e+05   -1.71785e+04   -2.14887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20983e+04   -1.72996e+06    3.48267e+05   -1.38169e+06   -1.29450e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12556e+02   -2.11725e+02   -6.73318e+01    3.80315e-06

           Step           Time
       12630000    25260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64699e+03    1.85653e+04    1.23499e+04    1.00341e+03   -2.93482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58555e+03    1.04636e+05    2.75844e+05   -1.71334e+04   -2.14349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21076e+04   -1.72682e+06    3.48351e+05   -1.37847e+06   -1.29448e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12632e+02   -2.10617e+02   -1.17475e+02    3.84952e-06

           Step           Time
       12635000    25270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66445e+03    1.79933e+04    1.23928e+04    1.06551e+03   -2.93422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51950e+03    1.04014e+05    2.80433e+05   -1.71725e+04   -2.14934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21602e+04   -1.72920e+06    3.48248e+05   -1.38095e+06   -1.29447e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12539e+02   -2.11578e+02    1.35736e+01    3.94886e-06

           Step           Time
       12640000    25280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55462e+03    1.80023e+04    1.23362e+04    1.08995e+03   -2.79400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64119e+03    1.04626e+05    2.82596e+05   -1.72033e+04   -2.15357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21820e+04   -1.73054e+06    3.48850e+05   -1.38169e+06   -1.29446e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13079e+02   -2.12337e+02    1.41398e+02    3.99372e-06

           Step           Time
       12645000    25290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35664e+03    1.82111e+04    1.26121e+04    1.10812e+03   -2.81923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54461e+03    1.04617e+05    2.79395e+05   -1.71493e+04   -2.15118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19953e+04   -1.73131e+06    3.49549e+05   -1.38176e+06   -1.29442e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13707e+02   -2.11007e+02   -3.62942e+01    3.94539e-06

           Step           Time
       12650000    25300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47478e+03    1.81229e+04    1.24141e+04    1.03487e+03   -2.83163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50174e+03    1.04934e+05    2.80960e+05   -1.71131e+04   -2.15159e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22548e+04   -1.72984e+06    3.46870e+05   -1.38297e+06   -1.29438e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11303e+02   -2.10118e+02    3.45065e+01    3.69673e-06

           Step           Time
       12655000    25310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35003e+03    1.79421e+04    1.27086e+04    1.08738e+03   -3.00282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63689e+03    1.04408e+05    2.78433e+05   -1.71849e+04   -2.14990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20412e+04   -1.73148e+06    3.49148e+05   -1.38234e+06   -1.29436e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13346e+02   -2.11884e+02   -1.25490e+01    3.86509e-06

           Step           Time
       12660000    25320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70641e+03    1.81348e+04    1.24024e+04    1.11557e+03   -2.79094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49018e+03    1.04280e+05    2.78264e+05   -1.71482e+04   -2.14706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21891e+04   -1.72842e+06    3.50050e+05   -1.37837e+06   -1.29430e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14157e+02   -2.10980e+02   -3.84567e+01    3.87473e-06

           Step           Time
       12665000    25330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50419e+03    1.82996e+04    1.24362e+04    1.11166e+03   -2.75256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50639e+03    1.04964e+05    2.80836e+05   -1.72059e+04   -2.15097e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23501e+04   -1.72892e+06    3.47576e+05   -1.38135e+06   -1.29422e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11936e+02   -2.12400e+02    7.93094e+01    3.87738e-06

           Step           Time
       12670000    25340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34383e+03    1.80983e+04    1.23714e+04    1.06145e+03   -2.77953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55909e+03    1.04484e+05    2.81175e+05   -1.71476e+04   -2.15160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21245e+04   -1.73031e+06    3.47649e+05   -1.38266e+06   -1.29423e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12001e+02   -2.10965e+02    1.13018e+02    3.97952e-06

           Step           Time
       12675000    25350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21919e+03    1.80536e+04    1.24410e+04    1.15987e+03   -2.78707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58460e+03    1.04972e+05    2.79982e+05   -1.71937e+04   -2.15220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19951e+04   -1.73177e+06    3.49623e+05   -1.38215e+06   -1.29425e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13773e+02   -2.12101e+02    9.20691e+01    3.94357e-06

           Step           Time
       12680000    25360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47417e+03    1.79457e+04    1.24800e+04    1.09473e+03   -2.97205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46280e+03    1.04377e+05    2.82012e+05   -1.71492e+04   -2.15270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19590e+04   -1.73102e+06    3.49350e+05   -1.38167e+06   -1.29420e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13528e+02   -2.11006e+02    7.99641e+01    3.93791e-06

           Step           Time
       12685000    25370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52973e+03    1.82659e+04    1.23293e+04    1.01681e+03   -2.71643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52554e+03    1.03857e+05    2.78768e+05   -1.71329e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22480e+04   -1.73051e+06    3.47955e+05   -1.38255e+06   -1.29416e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12276e+02   -2.10606e+02    1.45533e+01    3.83520e-06

           Step           Time
       12690000    25380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53259e+03    1.82803e+04    1.24845e+04    1.09506e+03   -2.73552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44202e+03    1.04393e+05    2.77943e+05   -1.71504e+04   -2.14807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21380e+04   -1.72964e+06    3.48910e+05   -1.38073e+06   -1.29415e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13133e+02   -2.11034e+02   -1.10957e+02    3.86743e-06

           Step           Time
       12695000    25390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56424e+03    1.83171e+04    1.25593e+04    1.08170e+03   -2.87854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46878e+03    1.04078e+05    2.75557e+05   -1.71249e+04   -2.14209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20728e+04   -1.72640e+06    3.49777e+05   -1.37662e+06   -1.29413e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13912e+02   -2.10409e+02   -1.82018e+02    3.73614e-06

           Step           Time
       12700000    25400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76551e+03    1.81844e+04    1.25963e+04    1.13937e+03   -2.92455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46404e+03    1.03944e+05    2.79753e+05   -1.71731e+04   -2.14988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19768e+04   -1.73016e+06    3.48243e+05   -1.38191e+06   -1.29409e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12535e+02   -2.11594e+02    5.89222e+00    3.90805e-06

           Step           Time
       12705000    25410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64008e+03    1.83601e+04    1.24808e+04    1.11849e+03   -2.78129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48394e+03    1.04609e+05    2.80251e+05   -1.71755e+04   -2.15123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20939e+04   -1.73015e+06    3.46669e+05   -1.38348e+06   -1.29399e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11122e+02   -2.11653e+02    5.01610e+01    3.85649e-06

           Step           Time
       12710000    25420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53338e+03    1.81659e+04    1.24304e+04    1.07796e+03   -2.78918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47127e+03    1.04463e+05    2.80733e+05   -1.72037e+04   -2.15105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21455e+04   -1.73002e+06    3.48088e+05   -1.38193e+06   -1.29401e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12396e+02   -2.12346e+02    1.19047e+02    3.75501e-06

           Step           Time
       12715000    25430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57088e+03    1.83550e+04    1.23090e+04    1.09836e+03   -2.86469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56083e+03    1.04254e+05    2.77242e+05   -1.71439e+04   -2.14442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20455e+04   -1.72699e+06    3.49758e+05   -1.37723e+06   -1.29398e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13894e+02   -2.10876e+02   -3.15516e+01    3.93590e-06

           Step           Time
       12720000    25440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68967e+03    1.89275e+04    1.24482e+04    1.10402e+03   -2.91496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41341e+03    1.03829e+05    2.80140e+05   -1.71889e+04   -2.15002e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19559e+04   -1.72962e+06    3.49218e+05   -1.38040e+06   -1.29392e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13410e+02   -2.11981e+02    2.28521e+01    3.75680e-06

           Step           Time
       12725000    25450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61395e+03    1.82578e+04    1.24511e+04    1.13404e+03   -2.90909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38173e+03    1.04285e+05    2.77867e+05   -1.71087e+04   -2.14794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21286e+04   -1.72984e+06    3.49782e+05   -1.38005e+06   -1.29393e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13915e+02   -2.10012e+02   -1.46054e+02    3.85575e-06

           Step           Time
       12730000    25460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49095e+03    1.82363e+04    1.24302e+04    1.16921e+03   -2.81954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44590e+03    1.04874e+05    2.79284e+05   -1.71792e+04   -2.15090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20800e+04   -1.73089e+06    3.49573e+05   -1.38132e+06   -1.29386e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13728e+02   -2.11744e+02   -6.99577e+01    3.93045e-06

           Step           Time
       12735000    25470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69165e+03    1.80912e+04    1.24562e+04    1.15821e+03   -2.79640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51473e+03    1.04316e+05    2.80019e+05   -1.71541e+04   -2.15174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20938e+04   -1.73136e+06    3.49237e+05   -1.38212e+06   -1.29384e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13427e+02   -2.11124e+02   -1.41527e+01    3.89837e-06

           Step           Time
       12740000    25480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58531e+03    1.82201e+04    1.24156e+04    1.04916e+03   -2.74482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46043e+03    1.04618e+05    2.78898e+05   -1.71753e+04   -2.14899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22580e+04   -1.72940e+06    3.47493e+05   -1.38191e+06   -1.29376e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11862e+02   -2.11646e+02   -2.21115e+01    3.82103e-06

           Step           Time
       12745000    25490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57281e+03    1.85958e+04    1.24349e+04    1.04323e+03   -2.93044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60122e+03    1.04353e+05    2.79464e+05   -1.71628e+04   -2.14968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21778e+04   -1.72953e+06    3.47959e+05   -1.38157e+06   -1.29375e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12279e+02   -2.11339e+02    5.96934e+01    3.70983e-06

           Step           Time
       12750000    25500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48194e+03    1.81282e+04    1.23471e+04    1.09775e+03   -2.82179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59901e+03    1.04036e+05    2.82825e+05   -1.71728e+04   -2.15359e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21498e+04   -1.73092e+06    3.51040e+05   -1.37988e+06   -1.29379e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15045e+02   -2.11585e+02    1.75085e+02    3.80582e-06

           Step           Time
       12755000    25510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57563e+03    1.80616e+04    1.24287e+04    1.07336e+03   -2.88519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53894e+03    1.04275e+05    2.78955e+05   -1.71575e+04   -2.15050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21619e+04   -1.73147e+06    3.49194e+05   -1.38228e+06   -1.29376e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13388e+02   -2.11209e+02   -3.88867e+01    3.72694e-06

           Step           Time
       12760000    25520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55877e+03    1.82003e+04    1.23523e+04    1.09846e+03   -2.76547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46964e+03    1.04399e+05    2.81785e+05   -1.71944e+04   -2.15304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21843e+04   -1.73095e+06    3.47846e+05   -1.38311e+06   -1.29369e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12178e+02   -2.12117e+02    1.35527e+02    3.91916e-06

           Step           Time
       12765000    25530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61824e+03    1.84119e+04    1.24724e+04    1.10174e+03   -2.78885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52199e+03    1.05062e+05    2.80921e+05   -1.71408e+04   -2.15090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21330e+04   -1.72859e+06    3.49903e+05   -1.37869e+06   -1.29365e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14024e+02   -2.10798e+02    3.65021e+01    3.88838e-06

           Step           Time
       12770000    25540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45790e+03    1.83008e+04    1.24004e+04    1.14243e+03   -2.73783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53642e+03    1.04372e+05    2.81023e+05   -1.71697e+04   -2.15194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23617e+04   -1.73025e+06    3.49644e+05   -1.38061e+06   -1.29363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13792e+02   -2.11509e+02    1.00596e+02    3.75510e-06

           Step           Time
       12775000    25550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48109e+03    1.86680e+04    1.25343e+04    1.17698e+03   -2.86606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45424e+03    1.03727e+05    2.77378e+05   -1.71733e+04   -2.14738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22437e+04   -1.72976e+06    3.48199e+05   -1.38156e+06   -1.29358e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12495e+02   -2.11598e+02   -7.03864e+01    3.84275e-06

           Step           Time
       12780000    25560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35364e+03    1.79488e+04    1.23205e+04    1.09486e+03   -2.80812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64059e+03    1.04420e+05    2.80219e+05   -1.71462e+04   -2.15237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22005e+04   -1.73212e+06    3.48935e+05   -1.38319e+06   -1.29363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13156e+02   -2.10932e+02    4.28051e+01    3.90271e-06

           Step           Time
       12785000    25570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35217e+03    1.83993e+04    1.23502e+04    1.10405e+03   -2.78234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57473e+03    1.04045e+05    2.80644e+05   -1.71615e+04   -2.15092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21428e+04   -1.73025e+06    3.49576e+05   -1.38068e+06   -1.29354e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13731e+02   -2.11306e+02    8.06753e+01    3.83041e-06

           Step           Time
       12790000    25580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69397e+03    1.83973e+04    1.24417e+04    1.07939e+03   -2.79831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34081e+03    1.03732e+05    2.78525e+05   -1.71934e+04   -2.14847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20537e+04   -1.73020e+06    3.50005e+05   -1.38019e+06   -1.29352e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14116e+02   -2.12093e+02   -2.97300e+01    3.99403e-06

           Step           Time
       12795000    25590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79133e+03    1.83897e+04    1.23525e+04    1.08476e+03   -2.81711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48156e+03    1.04386e+05    2.78378e+05   -1.71274e+04   -2.14564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19079e+04   -1.72681e+06    3.48531e+05   -1.37828e+06   -1.29349e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12793e+02   -2.10470e+02   -4.39963e+01    3.82087e-06

           Step           Time
       12800000    25600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80541e+03    1.83485e+04    1.24244e+04    1.07727e+03   -2.76430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44627e+03    1.03470e+05    2.79358e+05   -1.72141e+04   -2.14952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21563e+04   -1.73041e+06    3.50267e+05   -1.38014e+06   -1.29349e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14351e+02   -2.12603e+02    3.04140e+01    4.03603e-06

           Step           Time
       12805000    25610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63341e+03    1.84258e+04    1.24647e+04    1.11458e+03   -2.79075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42953e+03    1.03875e+05    2.77913e+05   -1.71691e+04   -2.14574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23034e+04   -1.72754e+06    3.49684e+05   -1.37786e+06   -1.29347e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13828e+02   -2.11493e+02   -4.04925e+01    4.07259e-06

           Step           Time
       12810000    25620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70698e+03    1.83300e+04    1.24856e+04    1.10752e+03   -2.86264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42450e+03    1.03446e+05    2.80125e+05   -1.71596e+04   -2.14909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19528e+04   -1.72954e+06    3.48840e+05   -1.38070e+06   -1.29338e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13071e+02   -2.11259e+02   -3.06228e+01    3.88109e-06

           Step           Time
       12815000    25630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43476e+03    1.83914e+04    1.25623e+04    1.06121e+03   -2.87165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60117e+03    1.04128e+05    2.77730e+05   -1.71700e+04   -2.14786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21061e+04   -1.72988e+06    3.48688e+05   -1.38120e+06   -1.29340e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12934e+02   -2.11516e+02   -2.07518e+01    3.84221e-06

           Step           Time
       12820000    25640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32632e+03    1.82784e+04    1.23888e+04    1.09862e+03   -2.79565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69063e+03    1.04113e+05    2.78203e+05   -1.71270e+04   -2.14828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21188e+04   -1.72999e+06    3.49543e+05   -1.38044e+06   -1.29339e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13701e+02   -2.10460e+02   -2.67958e+01    4.09519e-06

           Step           Time
       12825000    25650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46346e+03    1.82245e+04    1.24353e+04    1.07447e+03   -2.85763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53385e+03    1.04249e+05    2.79508e+05   -1.71594e+04   -2.14986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20943e+04   -1.73029e+06    3.49039e+05   -1.38125e+06   -1.29335e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13249e+02   -2.11256e+02    5.92900e+01    3.86742e-06

           Step           Time
       12830000    25660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61817e+03    1.83187e+04    1.23649e+04    1.05166e+03   -2.94277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57140e+03    1.04031e+05    2.78706e+05   -1.71734e+04   -2.14824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23453e+04   -1.72935e+06    3.48475e+05   -1.38087e+06   -1.29332e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12743e+02   -2.11600e+02   -2.81934e+01    3.88270e-06

           Step           Time
       12835000    25670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57556e+03    1.85793e+04    1.23914e+04    1.14594e+03   -2.93631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44830e+03    1.04089e+05    2.77639e+05   -1.71937e+04   -2.14710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20870e+04   -1.72928e+06    3.47352e+05   -1.38193e+06   -1.29326e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11735e+02   -2.12101e+02   -4.96884e+01    4.01014e-06

           Step           Time
       12840000    25680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55060e+03    1.82477e+04    1.24148e+04    1.15926e+03   -2.78838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51322e+03    1.04236e+05    2.80587e+05   -1.71545e+04   -2.14981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21997e+04   -1.72885e+06    3.47365e+05   -1.38148e+06   -1.29324e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11746e+02   -2.11135e+02   -8.07548e+00    3.92992e-06

           Step           Time
       12845000    25690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37842e+03    1.83701e+04    1.24494e+04    1.10361e+03   -2.84182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44752e+03    1.04140e+05    2.77626e+05   -1.71361e+04   -2.14856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19960e+04   -1.73103e+06    3.48165e+05   -1.38286e+06   -1.29325e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12465e+02   -2.10683e+02   -9.43122e+01    3.95069e-06

           Step           Time
       12850000    25700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21096e+03    1.84367e+04    1.24555e+04    1.20615e+03   -2.86948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58085e+03    1.04227e+05    2.80101e+05   -1.71302e+04   -2.14738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22420e+04   -1.72692e+06    3.49965e+05   -1.37696e+06   -1.29324e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14080e+02   -2.10537e+02    1.25734e+02    4.00695e-06

           Step           Time
       12855000    25710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58740e+03    1.82190e+04    1.24331e+04    1.12275e+03   -2.84513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69959e+03    1.04402e+05    2.78772e+05   -1.71827e+04   -2.14703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20732e+04   -1.72775e+06    3.50926e+05   -1.37682e+06   -1.29318e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14942e+02   -2.11828e+02    7.23797e+01    3.90480e-06

           Step           Time
       12860000    25720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64873e+03    1.85765e+04    1.25178e+04    1.00702e+03   -2.79378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38838e+03    1.03717e+05    2.79232e+05   -1.71674e+04   -2.15064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21457e+04   -1.73137e+06    3.48767e+05   -1.38260e+06   -1.29311e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13005e+02   -2.11453e+02   -4.88342e+01    3.73869e-06

           Step           Time
       12865000    25730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41117e+03    1.86545e+04    1.25181e+04    1.13761e+03   -2.85067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57697e+03    1.04464e+05    2.77769e+05   -1.71294e+04   -2.14588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22976e+04   -1.72703e+06    3.48192e+05   -1.37884e+06   -1.29306e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12489e+02   -2.10519e+02    6.26541e+01    3.95901e-06

           Step           Time
       12870000    25740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59168e+03    1.84104e+04    1.23702e+04    1.10219e+03   -2.77611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59980e+03    1.04670e+05    2.79639e+05   -1.71782e+04   -2.14988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20323e+04   -1.72941e+06    3.48751e+05   -1.38066e+06   -1.29307e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12990e+02   -2.11719e+02    1.00591e+02    4.06159e-06

           Step           Time
       12875000    25750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73272e+03    1.82782e+04    1.25148e+04    1.06017e+03   -2.77311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41065e+03    1.04168e+05    2.80234e+05   -1.71874e+04   -2.15136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18906e+04   -1.73103e+06    3.49615e+05   -1.38141e+06   -1.29303e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13765e+02   -2.11946e+02    3.32890e+01    4.05372e-06

           Step           Time
       12880000    25760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58269e+03    1.78762e+04    1.24551e+04    1.17990e+03   -2.83325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60983e+03    1.04273e+05    2.79724e+05   -1.71843e+04   -2.15130e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20529e+04   -1.73156e+06    3.48990e+05   -1.38257e+06   -1.29297e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13205e+02   -2.11867e+02    3.85053e+01    3.75495e-06

           Step           Time
       12885000    25770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.17313e+03    1.81326e+04    1.24645e+04    1.15041e+03   -2.88586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57966e+03    1.04389e+05    2.81478e+05   -1.71889e+04   -2.15406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22243e+04   -1.73255e+06    3.48148e+05   -1.38440e+06   -1.29294e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12450e+02   -2.11981e+02    9.63917e+01    3.94261e-06

           Step           Time
       12890000    25780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45045e+03    1.82041e+04    1.23432e+04    1.11225e+03   -2.81761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53625e+03    1.04461e+05    2.79275e+05   -1.71334e+04   -2.14860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19316e+04   -1.72924e+06    3.49260e+05   -1.37998e+06   -1.29290e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13448e+02   -2.10616e+02    2.68479e+00    3.95279e-06

           Step           Time
       12895000    25790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57182e+03    1.85263e+04    1.23663e+04    1.04752e+03   -2.82538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51320e+03    1.04037e+05    2.77275e+05   -1.71433e+04   -2.14596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20563e+04   -1.72854e+06    3.50255e+05   -1.37828e+06   -1.29289e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14340e+02   -2.10860e+02   -8.23167e+01    3.93332e-06

           Step           Time
       12900000    25800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37173e+03    1.88525e+04    1.21713e+04    1.12493e+03   -2.87704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51218e+03    1.04125e+05    2.76501e+05   -1.71710e+04   -2.14442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19761e+04   -1.72783e+06    3.48881e+05   -1.37895e+06   -1.29285e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13107e+02   -2.11541e+02   -3.95358e+01    3.91617e-06

           Step           Time
       12905000    25810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28403e+03    1.81666e+04    1.23032e+04    1.04220e+03   -2.74953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55324e+03    1.04622e+05    2.79107e+05   -1.71889e+04   -2.15007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22119e+04   -1.73072e+06    3.48231e+05   -1.38249e+06   -1.29279e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12524e+02   -2.11982e+02   -1.17613e+01    3.95815e-06

           Step           Time
       12910000    25820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39589e+03    1.84782e+04    1.23764e+04    1.13478e+03   -2.79349e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49342e+03    1.04205e+05    2.79433e+05   -1.71251e+04   -2.14948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19968e+04   -1.72989e+06    3.47911e+05   -1.38198e+06   -1.29273e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12236e+02   -2.10413e+02   -3.52053e+01    3.93058e-06

           Step           Time
       12915000    25830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33743e+03    1.83820e+04    1.22523e+04    1.09920e+03   -2.78787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51235e+03    1.04390e+05    2.77041e+05   -1.71352e+04   -2.14654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22240e+04   -1.72923e+06    3.48077e+05   -1.38115e+06   -1.29271e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12385e+02   -2.10660e+02   -6.50233e+01    3.91496e-06

           Step           Time
       12920000    25840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69857e+03    1.83599e+04    1.25611e+04    9.88276e+02   -2.85724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53677e+03    1.04762e+05    2.77993e+05   -1.71567e+04   -2.14902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21699e+04   -1.72997e+06    3.50165e+05   -1.37980e+06   -1.29268e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14260e+02   -2.11189e+02   -7.75746e+01    3.94851e-06

           Step           Time
       12925000    25850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53162e+03    1.82512e+04    1.22708e+04    1.12639e+03   -2.79753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57890e+03    1.04326e+05    2.80421e+05   -1.71697e+04   -2.15123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22889e+04   -1.73041e+06    3.50475e+05   -1.37993e+06   -1.29267e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14538e+02   -2.11509e+02    9.92561e+01    4.00359e-06

           Step           Time
       12930000    25860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47263e+03    1.84368e+04    1.24182e+04    1.12856e+03   -2.84751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49012e+03    1.04698e+05    2.78706e+05   -1.71933e+04   -2.14915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21951e+04   -1.72965e+06    3.47934e+05   -1.38171e+06   -1.29260e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12257e+02   -2.12091e+02   -4.09840e+00    3.79262e-06

           Step           Time
       12935000    25870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68586e+03    1.84964e+04    1.22823e+04    1.04386e+03   -2.89859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51149e+03    1.04236e+05    2.78111e+05   -1.71605e+04   -2.14591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21662e+04   -1.72744e+06    3.48480e+05   -1.37896e+06   -1.29256e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12747e+02   -2.11282e+02   -5.48323e+00    3.84372e-06

           Step           Time
       12940000    25880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47954e+03    1.81639e+04    1.25171e+04    1.16205e+03   -2.85678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65722e+03    1.05030e+05    2.80456e+05   -1.72078e+04   -2.15095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21801e+04   -1.72936e+06    3.48888e+05   -1.38048e+06   -1.29252e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13113e+02   -2.12448e+02    1.04549e+02    4.00105e-06

           Step           Time
       12945000    25890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66362e+03    1.81819e+04    1.24283e+04    1.10862e+03   -2.75620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50727e+03    1.04475e+05    2.78455e+05   -1.71727e+04   -2.14757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21369e+04   -1.72854e+06    3.47707e+05   -1.38083e+06   -1.29252e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12054e+02   -2.11584e+02    3.88962e+01    3.87811e-06

           Step           Time
       12950000    25900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68488e+03    1.85197e+04    1.22817e+04    1.05866e+03   -2.95419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55370e+03    1.04257e+05    2.79296e+05   -1.71480e+04   -2.14724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22648e+04   -1.72743e+06    3.47613e+05   -1.37982e+06   -1.29249e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11969e+02   -2.10975e+02    1.91432e+01    3.94340e-06

           Step           Time
       12955000    25910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47128e+03    1.84125e+04    1.25576e+04    1.10925e+03   -2.80899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47188e+03    1.04024e+05    2.79744e+05   -1.71600e+04   -2.14931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21110e+04   -1.72937e+06    3.46840e+05   -1.38253e+06   -1.29246e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11276e+02   -2.11269e+02    1.43268e+01    3.69245e-06

           Step           Time
       12960000    25920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44722e+03    1.81345e+04    1.24221e+04    1.08838e+03   -2.80085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52695e+03    1.04166e+05    2.79200e+05   -1.71878e+04   -2.14878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21339e+04   -1.72965e+06    3.48314e+05   -1.38134e+06   -1.29242e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12598e+02   -2.11954e+02    6.52947e+01    4.11029e-06

           Step           Time
       12965000    25930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60958e+03    1.83973e+04    1.25690e+04    9.94824e+02   -2.81109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50246e+03    1.03704e+05    2.78983e+05   -1.71471e+04   -2.14789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20027e+04   -1.72908e+06    3.47514e+05   -1.38157e+06   -1.29238e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11880e+02   -2.10954e+02   -1.94023e+01    3.98570e-06

           Step           Time
       12970000    25940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.21564e+03    1.78378e+04    1.24564e+04    1.07187e+03   -2.81830e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64939e+03    1.04394e+05    2.78638e+05   -1.71568e+04   -2.15060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21770e+04   -1.73213e+06    3.48450e+05   -1.38368e+06   -1.29238e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12721e+02   -2.11192e+02   -4.75867e+00    4.15660e-06

           Step           Time
       12975000    25950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35470e+03    1.84096e+04    1.23503e+04    1.09995e+03   -2.70513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64112e+03    1.03836e+05    2.79673e+05   -1.71679e+04   -2.15007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20948e+04   -1.73049e+06    3.46553e+05   -1.38394e+06   -1.29231e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11018e+02   -2.11466e+02    4.45697e+01    3.94376e-06

           Step           Time
       12980000    25960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26405e+03    1.79490e+04    1.24585e+04    1.03231e+03   -2.85267e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65178e+03    1.04262e+05    2.79845e+05   -1.71688e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20574e+04   -1.73298e+06    3.48426e+05   -1.38455e+06   -1.29232e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12699e+02   -2.11487e+02    3.85750e+01    3.89271e-06

           Step           Time
       12985000    25970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90236e+03    1.86668e+04    1.26190e+04    1.11473e+03   -2.98390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49861e+03    1.04059e+05    2.78512e+05   -1.71314e+04   -2.14465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22695e+04   -1.72513e+06    3.50288e+05   -1.37484e+06   -1.29227e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14370e+02   -2.10567e+02   -6.03193e+01    3.96805e-06

           Step           Time
       12990000    25980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57887e+03    1.81827e+04    1.25460e+04    1.02065e+03   -2.80005e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44775e+03    1.03791e+05    2.78719e+05   -1.71535e+04   -2.15013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21886e+04   -1.73160e+06    3.48761e+05   -1.38284e+06   -1.29229e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12999e+02   -2.11111e+02   -8.23828e+01    3.91202e-06

           Step           Time
       12995000    25990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72831e+03    1.83921e+04    1.24937e+04    1.13133e+03   -2.90590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50146e+03    1.03934e+05    2.81833e+05   -1.71982e+04   -2.15172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22443e+04   -1.72956e+06    3.48750e+05   -1.38081e+06   -1.29225e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12990e+02   -2.12212e+02    1.36088e+02    3.88308e-06

           Step           Time
       13000000    26000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37794e+03    1.81482e+04    1.25515e+04    1.09938e+03   -2.95612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65725e+03    1.04570e+05    2.77366e+05   -1.71739e+04   -2.14523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22725e+04   -1.72732e+06    3.48475e+05   -1.37884e+06   -1.29223e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12743e+02   -2.11613e+02    1.28778e+00    4.08499e-06

           Step           Time
       13005000    26010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35834e+03    1.82271e+04    1.24602e+04    1.02492e+03   -2.79672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66106e+03    1.04359e+05    2.80587e+05   -1.71499e+04   -2.15317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22066e+04   -1.73223e+06    3.48516e+05   -1.38371e+06   -1.29216e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12780e+02   -2.11021e+02    3.88987e+01    3.88950e-06

           Step           Time
       13010000    26020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55927e+03    1.88019e+04    1.24260e+04    1.08475e+03   -2.88707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52603e+03    1.03629e+05    2.75609e+05   -1.71526e+04   -2.14485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20397e+04   -1.72921e+06    3.48341e+05   -1.38087e+06   -1.29212e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12622e+02   -2.11090e+02   -1.20759e+02    3.93652e-06

           Step           Time
       13015000    26030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41803e+03    1.85190e+04    1.25355e+04    1.00691e+03   -2.78951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52659e+03    1.03994e+05    2.80529e+05   -1.71620e+04   -2.14952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20604e+04   -1.72888e+06    3.49066e+05   -1.37981e+06   -1.29212e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13274e+02   -2.11320e+02    7.12221e+01    3.98387e-06

           Step           Time
       13020000    26040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67527e+03    1.82746e+04    1.25152e+04    1.07372e+03   -2.88940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55321e+03    1.04125e+05    2.77278e+05   -1.71323e+04   -2.14589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20467e+04   -1.72837e+06    3.47875e+05   -1.38050e+06   -1.29210e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12204e+02   -2.10589e+02   -1.09056e+02    3.95409e-06

           Step           Time
       13025000    26050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43958e+03    1.82405e+04    1.24262e+04    1.10492e+03   -2.84516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54570e+03    1.04107e+05    2.77452e+05   -1.71788e+04   -2.14770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20589e+04   -1.73035e+06    3.49752e+05   -1.38059e+06   -1.29207e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13888e+02   -2.11733e+02   -6.59587e+01    4.02902e-06

           Step           Time
       13030000    26060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52673e+03    1.85730e+04    1.22995e+04    1.04051e+03   -2.85582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57800e+03    1.04034e+05    2.75794e+05   -1.71739e+04   -2.14426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21731e+04   -1.72827e+06    3.49367e+05   -1.37890e+06   -1.29202e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13543e+02   -2.11611e+02   -4.60953e+01    3.94296e-06

           Step           Time
       13035000    26070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65572e+03    1.84200e+04    1.22706e+04    1.21128e+03   -2.81744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48355e+03    1.03996e+05    2.78568e+05   -1.71113e+04   -2.14526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21823e+04   -1.72640e+06    3.48586e+05   -1.37781e+06   -1.29201e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12842e+02   -2.10075e+02   -4.29710e+01    3.77782e-06

           Step           Time
       13040000    26080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79128e+03    1.79350e+04    1.25056e+04    1.11969e+03   -2.94366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33152e+03    1.04287e+05    2.79318e+05   -1.71392e+04   -2.14785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22034e+04   -1.72844e+06    3.47574e+05   -1.38087e+06   -1.29199e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11934e+02   -2.10759e+02   -2.97171e+01    3.87027e-06

           Step           Time
       13045000    26090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61146e+03    1.82679e+04    1.25222e+04    1.04418e+03   -2.88595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56853e+03    1.04300e+05    2.78274e+05   -1.71642e+04   -2.14816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20140e+04   -1.72960e+06    3.49794e+05   -1.37981e+06   -1.29197e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13926e+02   -2.11375e+02    3.65000e+01    3.87368e-06

           Step           Time
       13050000    26100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64055e+03    1.81527e+04    1.23349e+04    1.07402e+03   -2.65233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43387e+03    1.04271e+05    2.78116e+05   -1.71488e+04   -2.14526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20874e+04   -1.72695e+06    3.49426e+05   -1.37752e+06   -1.29195e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13596e+02   -2.10995e+02   -5.52285e+01    3.99414e-06

           Step           Time
       13055000    26110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64006e+03    1.83447e+04    1.22551e+04    1.03372e+03   -2.90862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50811e+03    1.03750e+05    2.78550e+05   -1.71481e+04   -2.14654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19810e+04   -1.72854e+06    3.47931e+05   -1.38061e+06   -1.29191e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12255e+02   -2.10978e+02    7.56502e+00    3.84193e-06

           Step           Time
       13060000    26120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47526e+03    1.85181e+04    1.21974e+04    1.03126e+03   -2.91872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48408e+03    1.04455e+05    2.79889e+05   -1.71810e+04   -2.14987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20296e+04   -1.72989e+06    3.49615e+05   -1.38027e+06   -1.29188e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13766e+02   -2.11786e+02    1.07795e+02    3.84976e-06

           Step           Time
       13065000    26130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45411e+03    1.82807e+04    1.22770e+04    1.10062e+03   -2.83208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51290e+03    1.04575e+05    2.76846e+05   -1.71850e+04   -2.14868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19972e+04   -1.73165e+06    3.48563e+05   -1.38309e+06   -1.29181e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12822e+02   -2.11886e+02   -8.20446e+01    3.78143e-06

           Step           Time
       13070000    26140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59233e+03    1.82604e+04    1.25551e+04    1.11253e+03   -2.91401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44559e+03    1.03750e+05    2.80107e+05   -1.71793e+04   -2.15192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19747e+04   -1.73222e+06    3.48305e+05   -1.38391e+06   -1.29177e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12591e+02   -2.11745e+02   -3.17488e+01    3.87894e-06

           Step           Time
       13075000    26150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54265e+03    1.84496e+04    1.23651e+04    1.12865e+03   -2.71177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51560e+03    1.03878e+05    2.79349e+05   -1.71528e+04   -2.14909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21120e+04   -1.72961e+06    3.47537e+05   -1.38208e+06   -1.29174e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11901e+02   -2.11093e+02   -4.76486e+01    3.91809e-06

           Step           Time
       13080000    26160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69157e+03    1.78796e+04    1.23335e+04    1.18518e+03   -2.73998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44135e+03    1.04341e+05    2.79098e+05   -1.71166e+04   -2.14705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20943e+04   -1.72784e+06    3.45866e+05   -1.38198e+06   -1.29167e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10401e+02   -2.10204e+02   -5.48766e+01    3.73934e-06

           Step           Time
       13085000    26170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65412e+03    1.84922e+04    1.24084e+04    1.11126e+03   -2.80869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51239e+03    1.04190e+05    2.79425e+05   -1.71896e+04   -2.14684e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22768e+04   -1.72676e+06    3.48162e+05   -1.37860e+06   -1.29165e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12462e+02   -2.11999e+02    1.25954e+01    3.89873e-06

           Step           Time
       13090000    26180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68125e+03    1.83587e+04    1.24104e+04    1.04618e+03   -2.86250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49723e+03    1.03781e+05    2.80632e+05   -1.72217e+04   -2.15234e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20253e+04   -1.73200e+06    3.50026e+05   -1.38197e+06   -1.29161e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14135e+02   -2.12790e+02    7.42501e+01    3.88997e-06

           Step           Time
       13095000    26190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55722e+03    1.86811e+04    1.24924e+04    1.04720e+03   -2.80134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53109e+03    1.03692e+05    2.78220e+05   -1.71786e+04   -2.14753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22270e+04   -1.72906e+06    3.49558e+05   -1.37950e+06   -1.29157e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13715e+02   -2.11729e+02    1.94277e+01    3.97664e-06

           Step           Time
       13100000    26200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59279e+03    1.81758e+04    1.25331e+04    1.19152e+03   -2.85375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42397e+03    1.03648e+05    2.80037e+05   -1.71845e+04   -2.14835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20824e+04   -1.72870e+06    3.48069e+05   -1.38063e+06   -1.29156e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12378e+02   -2.11873e+02    5.42121e+01    3.77892e-06

           Step           Time
       13105000    26210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50822e+03    1.80498e+04    1.25149e+04    1.20209e+03   -2.85831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56759e+03    1.03881e+05    2.77029e+05   -1.71698e+04   -2.14559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21667e+04   -1.72870e+06    3.48016e+05   -1.38069e+06   -1.29147e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12331e+02   -2.11513e+02    1.52068e-01    3.90780e-06

           Step           Time
       13110000    26220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54504e+03    1.84083e+04    1.24480e+04    1.15525e+03   -2.84286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48804e+03    1.03719e+05    2.78182e+05   -1.71386e+04   -2.14494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22321e+04   -1.72674e+06    3.50385e+05   -1.37636e+06   -1.29151e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14457e+02   -2.10744e+02   -4.82098e+00    3.97950e-06

           Step           Time
       13115000    26230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56956e+03    1.83683e+04    1.24545e+04    1.00025e+03   -2.78457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59458e+03    1.04356e+05    2.80671e+05   -1.71421e+04   -2.15087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22169e+04   -1.72957e+06    3.49699e+05   -1.37987e+06   -1.29140e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13841e+02   -2.10831e+02    6.39057e+01    3.95898e-06

           Step           Time
       13120000    26240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27055e+03    1.84783e+04    1.25092e+04    1.11632e+03   -2.74775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40262e+03    1.04162e+05    2.76999e+05   -1.71770e+04   -2.14675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20489e+04   -1.72969e+06    3.48078e+05   -1.38161e+06   -1.29140e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12387e+02   -2.11688e+02   -1.41762e+02    4.00568e-06

           Step           Time
       13125000    26250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60217e+03    1.83454e+04    1.23704e+04    1.08033e+03   -2.81547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45782e+03    1.04627e+05    2.79943e+05   -1.71127e+04   -2.14852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21757e+04   -1.72785e+06    3.48636e+05   -1.37921e+06   -1.29134e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12888e+02   -2.10107e+02    7.70653e+01    4.03731e-06

           Step           Time
       13130000    26260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83745e+03    1.81224e+04    1.26325e+04    1.15431e+03   -2.78652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53770e+03    1.04448e+05    2.81937e+05   -1.71875e+04   -2.14986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20965e+04   -1.72706e+06    3.48556e+05   -1.37851e+06   -1.29129e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12815e+02   -2.11948e+02    1.29074e+02    3.86624e-06

           Step           Time
       13135000    26270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74804e+03    1.83898e+04    1.23881e+04    1.11526e+03   -2.83040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41421e+03    1.03532e+05    2.81470e+05   -1.71502e+04   -2.14963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20992e+04   -1.72846e+06    3.48523e+05   -1.37994e+06   -1.29129e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12786e+02   -2.11030e+02    4.01991e+01    4.03708e-06

           Step           Time
       13140000    26280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66093e+03    1.81677e+04    1.23995e+04    1.06616e+03   -2.84333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53379e+03    1.04149e+05    2.79530e+05   -1.71405e+04   -2.15099e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21104e+04   -1.73136e+06    3.50153e+05   -1.38120e+06   -1.29130e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14249e+02   -2.10791e+02    1.93295e+00    3.75670e-06

           Step           Time
       13145000    26290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64653e+03    1.82555e+04    1.24586e+04    1.13846e+03   -2.88335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54308e+03    1.03921e+05    2.78610e+05   -1.71442e+04   -2.14667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21800e+04   -1.72794e+06    3.47174e+05   -1.38077e+06   -1.29122e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11575e+02   -2.10882e+02   -7.67171e+01    3.85727e-06

           Step           Time
       13150000    26300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66946e+03    1.82565e+04    1.23593e+04    1.04379e+03   -2.84541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46597e+03    1.04375e+05    2.77133e+05   -1.71671e+04   -2.14640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21341e+04   -1.72898e+06    3.49844e+05   -1.37913e+06   -1.29125e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13972e+02   -2.11445e+02   -5.94955e+01    3.95571e-06

           Step           Time
       13155000    26310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44138e+03    1.84211e+04    1.24674e+04    1.06334e+03   -2.83869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57973e+03    1.03969e+05    2.80443e+05   -1.71664e+04   -2.15242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20937e+04   -1.73195e+06    3.50348e+05   -1.38160e+06   -1.29117e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14423e+02   -2.11428e+02    5.42313e+01    3.89600e-06

           Step           Time
       13160000    26320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64695e+03    1.82596e+04    1.23490e+04    1.01346e+03   -2.80283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55458e+03    1.04600e+05    2.78160e+05   -1.71589e+04   -2.15193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21625e+04   -1.73315e+06    3.49280e+05   -1.38387e+06   -1.29111e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13465e+02   -2.11245e+02   -1.01812e+02    3.96320e-06

           Step           Time
       13165000    26330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72775e+03    1.81794e+04    1.24312e+04    1.07253e+03   -2.92022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48997e+03    1.04312e+05    2.80535e+05   -1.71959e+04   -2.15217e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19154e+04   -1.73162e+06    3.47852e+05   -1.38377e+06   -1.29108e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12183e+02   -2.12155e+02    1.11291e+01    3.76809e-06

           Step           Time
       13170000    26340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39434e+03    1.80934e+04    1.23004e+04    1.14051e+03   -2.83930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62209e+03    1.04594e+05    2.77950e+05   -1.71575e+04   -2.14801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20082e+04   -1.72991e+06    3.48521e+05   -1.38138e+06   -1.29111e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12784e+02   -2.11208e+02   -3.25344e+01    3.85690e-06

           Step           Time
       13175000    26350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50946e+03    1.83798e+04    1.24616e+04    1.09727e+03   -2.82506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46962e+03    1.04170e+05    2.78963e+05   -1.71925e+04   -2.15058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19974e+04   -1.73155e+06    3.49541e+05   -1.38201e+06   -1.29101e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13700e+02   -2.12070e+02   -2.11270e+01    4.01996e-06

           Step           Time
       13180000    26360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49174e+03    1.81852e+04    1.22016e+04    1.07700e+03   -2.78287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56886e+03    1.04060e+05    2.78838e+05   -1.71382e+04   -2.14844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20245e+04   -1.72991e+06    3.49003e+05   -1.38091e+06   -1.29100e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13217e+02   -2.10736e+02   -3.77565e+01    3.81374e-06

           Step           Time
       13185000    26370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56287e+03    1.84063e+04    1.24467e+04    1.08303e+03   -2.79406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47202e+03    1.03627e+05    2.78189e+05   -1.71479e+04   -2.14727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21589e+04   -1.72927e+06    3.48951e+05   -1.38031e+06   -1.29094e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13170e+02   -2.10972e+02   -4.33365e+01    3.91681e-06

           Step           Time
       13190000    26380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57440e+03    1.85175e+04    1.23170e+04    1.03357e+03   -2.81072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51280e+03    1.03879e+05    2.76988e+05   -1.71782e+04   -2.14598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21109e+04   -1.72903e+06    3.48721e+05   -1.38031e+06   -1.29089e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12963e+02   -2.11719e+02   -5.01016e+01    3.86509e-06

           Step           Time
       13195000    26390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53916e+03    1.84588e+04    1.24070e+04    1.16386e+03   -2.79035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61433e+03    1.03761e+05    2.79226e+05   -1.71720e+04   -2.14964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20700e+04   -1.73037e+06    3.49410e+05   -1.38096e+06   -1.29086e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13582e+02   -2.11565e+02    6.47633e-01    4.02253e-06

           Step           Time
       13200000    26400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60085e+03    1.81766e+04    1.25402e+04    1.05475e+03   -2.79008e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50677e+03    1.04113e+05    2.80906e+05   -1.71688e+04   -2.15154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21423e+04   -1.73046e+06    3.48989e+05   -1.38147e+06   -1.29083e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13204e+02   -2.11487e+02    5.26475e+01    3.89722e-06

           Step           Time
       13205000    26410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62929e+03    1.85266e+04    1.22405e+04    9.93841e+02   -2.82247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40905e+03    1.04100e+05    2.76824e+05   -1.71595e+04   -2.14785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19841e+04   -1.73112e+06    3.50258e+05   -1.38086e+06   -1.29083e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14343e+02   -2.11259e+02   -1.50627e+02    4.11844e-06

           Step           Time
       13210000    26420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64014e+03    1.85128e+04    1.23155e+04    1.14802e+03   -2.75518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51396e+03    1.04229e+05    2.79948e+05   -1.71750e+04   -2.14855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21846e+04   -1.72799e+06    3.50545e+05   -1.37745e+06   -1.29081e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14600e+02   -2.11639e+02    8.83661e+01    4.08558e-06

           Step           Time
       13215000    26430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79431e+03    1.78779e+04    1.26321e+04    1.13616e+03   -2.81983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49067e+03    1.04268e+05    2.80403e+05   -1.71551e+04   -2.15078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20775e+04   -1.73007e+06    3.48506e+05   -1.38156e+06   -1.29076e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12771e+02   -2.11149e+02   -6.92294e+00    3.88860e-06

           Step           Time
       13220000    26440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71062e+03    1.84225e+04    1.24579e+04    1.12095e+03   -2.78336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59330e+03    1.04250e+05    2.77565e+05   -1.71103e+04   -2.14447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22257e+04   -1.72602e+06    3.50539e+05   -1.37548e+06   -1.29070e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14595e+02   -2.10050e+02    3.95219e+01    3.98412e-06

           Step           Time
       13225000    26450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55794e+03    1.82849e+04    1.24044e+04    1.05801e+03   -2.84613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46199e+03    1.03683e+05    2.77728e+05   -1.71392e+04   -2.14857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21198e+04   -1.73126e+06    3.48096e+05   -1.38316e+06   -1.29071e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12403e+02   -2.10759e+02   -1.07514e+02    3.93491e-06

           Step           Time
       13230000    26460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57772e+03    1.82724e+04    1.25043e+04    1.14029e+03   -2.80736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58563e+03    1.03975e+05    2.78782e+05   -1.71722e+04   -2.14985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20715e+04   -1.73092e+06    3.48524e+05   -1.38240e+06   -1.29066e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12787e+02   -2.11570e+02   -1.16804e+01    3.89554e-06

           Step           Time
       13235000    26470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59428e+03    1.83354e+04    1.23284e+04    1.10464e+03   -2.74981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52580e+03    1.04439e+05    2.82228e+05   -1.71799e+04   -2.15392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19222e+04   -1.73138e+06    3.49244e+05   -1.38213e+06   -1.29063e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13433e+02   -2.11760e+02    1.03979e+02    4.02158e-06

           Step           Time
       13240000    26480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51778e+03    1.87654e+04    1.23298e+04    1.05217e+03   -2.82175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50506e+03    1.04463e+05    2.81523e+05   -1.71873e+04   -2.15199e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20292e+04   -1.72982e+06    3.47932e+05   -1.38188e+06   -1.29054e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12255e+02   -2.11942e+02    1.18615e+02    3.93752e-06

           Step           Time
       13245000    26490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46802e+03    1.84389e+04    1.24874e+04    1.10096e+03   -2.78849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59187e+03    1.04026e+05    2.78843e+05   -1.71554e+04   -2.14926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21871e+04   -1.73006e+06    3.47792e+05   -1.38227e+06   -1.29054e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12130e+02   -2.11156e+02   -1.68292e+01    3.97810e-06

           Step           Time
       13250000    26500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70359e+03    1.80050e+04    1.21858e+04    1.10965e+03   -2.70265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54104e+03    1.04177e+05    2.78687e+05   -1.71660e+04   -2.14820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19904e+04   -1.72966e+06    3.48230e+05   -1.38143e+06   -1.29052e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12523e+02   -2.11418e+02   -1.21406e+02    3.86071e-06

           Step           Time
       13255000    26510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86714e+03    1.83508e+04    1.24667e+04    1.12537e+03   -2.88406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38294e+03    1.04397e+05    2.78380e+05   -1.71489e+04   -2.14756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21458e+04   -1.72848e+06    3.49327e+05   -1.37915e+06   -1.29046e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13507e+02   -2.10999e+02   -8.17119e+01    3.81443e-06

           Step           Time
       13260000    26520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49399e+03    1.85610e+04    1.23866e+04    1.02036e+03   -2.83749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39417e+03    1.04238e+05    2.79190e+05   -1.71289e+04   -2.14917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20461e+04   -1.72980e+06    3.49656e+05   -1.38015e+06   -1.29045e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13803e+02   -2.10506e+02   -6.65410e+01    3.82263e-06

           Step           Time
       13265000    26530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56496e+03    1.84531e+04    1.23638e+04    1.05816e+03   -2.81373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67634e+03    1.04751e+05    2.81008e+05   -1.71523e+04   -2.15202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22745e+04   -1.72984e+06    3.50842e+05   -1.37899e+06   -1.29041e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14867e+02   -2.11080e+02    9.52476e+01    3.85211e-06

           Step           Time
       13270000    26540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64057e+03    1.83211e+04    1.23064e+04    1.10629e+03   -2.81952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57734e+03    1.04262e+05    2.80283e+05   -1.72188e+04   -2.15187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19941e+04   -1.73142e+06    3.48989e+05   -1.38243e+06   -1.29041e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13204e+02   -2.12719e+02    1.10082e+02    3.73825e-06

           Step           Time
       13275000    26550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65046e+03    1.80445e+04    1.25320e+04    1.08025e+03   -2.74773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50829e+03    1.04265e+05    2.79523e+05   -1.71781e+04   -2.15011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20819e+04   -1.73035e+06    3.47066e+05   -1.38329e+06   -1.29035e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.11716e+02    7.36326e+01    3.88513e-06

           Step           Time
       13280000    26560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52639e+03    1.82720e+04    1.24988e+04    1.07256e+03   -2.75344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42161e+03    1.04114e+05    2.80341e+05   -1.71976e+04   -2.15288e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20498e+04   -1.73253e+06    3.48466e+05   -1.38407e+06   -1.29032e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12734e+02   -2.12197e+02    2.04952e+00    3.79471e-06

           Step           Time
       13285000    26570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53794e+03    1.84444e+04    1.24114e+04    1.14013e+03   -2.75712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59047e+03    1.04444e+05    2.77619e+05   -1.71792e+04   -2.14747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22287e+04   -1.72899e+06    3.49881e+05   -1.37911e+06   -1.29027e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14005e+02   -2.11742e+02    2.09884e+01    3.99379e-06

           Step           Time
       13290000    26580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46057e+03    1.82709e+04    1.23151e+04    9.98383e+02   -2.78072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46658e+03    1.04434e+05    2.77867e+05   -1.71595e+04   -2.14859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21328e+04   -1.73059e+06    3.48339e+05   -1.38225e+06   -1.29029e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12621e+02   -2.11257e+02   -9.06309e+01    3.95563e-06

           Step           Time
       13295000    26590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63703e+03    1.84621e+04    1.22296e+04    1.10859e+03   -2.75586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45810e+03    1.03949e+05    2.80035e+05   -1.72021e+04   -2.15217e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19372e+04   -1.73231e+06    3.50126e+05   -1.38218e+06   -1.29022e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14225e+02   -2.12308e+02    9.58849e+00    3.83350e-06

           Step           Time
       13300000    26600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64941e+03    1.84071e+04    1.25467e+04    1.01226e+03   -2.82799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52073e+03    1.04131e+05    2.81891e+05   -1.71666e+04   -2.15249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19369e+04   -1.73039e+06    3.48034e+05   -1.38236e+06   -1.29018e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12347e+02   -2.11433e+02    6.73298e+01    3.70115e-06

           Step           Time
       13305000    26610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58314e+03    1.84642e+04    1.25811e+04    1.19331e+03   -2.81703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56245e+03    1.04267e+05    2.81060e+05   -1.71363e+04   -2.14855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22088e+04   -1.72658e+06    3.49962e+05   -1.37662e+06   -1.29018e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14078e+02   -2.10687e+02    1.19982e+02    3.86638e-06

           Step           Time
       13310000    26620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66236e+03    1.81896e+04    1.27039e+04    1.12110e+03   -2.81845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65604e+03    1.04464e+05    2.78348e+05   -1.71409e+04   -2.14761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20861e+04   -1.72834e+06    3.49503e+05   -1.37884e+06   -1.29015e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13665e+02   -2.10800e+02    1.90977e+01    3.85877e-06

           Step           Time
       13315000    26630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68493e+03    1.81963e+04    1.23815e+04    1.11437e+03   -2.75053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56284e+03    1.04441e+05    2.80893e+05   -1.71677e+04   -2.15083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22012e+04   -1.72927e+06    3.49562e+05   -1.37971e+06   -1.29013e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13718e+02   -2.11460e+02    9.56833e+01    3.91902e-06

           Step           Time
       13320000    26640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48390e+03    1.82184e+04    1.22049e+04    1.07016e+03   -2.75177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59536e+03    1.04542e+05    2.76293e+05   -1.71308e+04   -2.14488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21317e+04   -1.72823e+06    3.48271e+05   -1.37996e+06   -1.29008e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12560e+02   -2.10552e+02   -8.04451e+01    4.07142e-06

Writing checkpoint, step 13322400 at Thu Dec  7 09:27:56 2023


           Step           Time
       13325000    26650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73348e+03    1.83039e+04    1.24617e+04    1.15541e+03   -2.84491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58250e+03    1.04182e+05    2.78488e+05   -1.71572e+04   -2.14729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21025e+04   -1.72829e+06    3.50054e+05   -1.37823e+06   -1.29005e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14160e+02   -2.11200e+02    1.32748e+01    3.87229e-06

           Step           Time
       13330000    26660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66304e+03    1.77984e+04    1.25867e+04    1.09620e+03   -2.87995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58437e+03    1.04042e+05    2.80404e+05   -1.71678e+04   -2.15007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22073e+04   -1.72974e+06    3.49493e+05   -1.38025e+06   -1.29004e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13656e+02   -2.11462e+02    4.20162e+01    3.95849e-06

           Step           Time
       13335000    26670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38296e+03    1.83953e+04    1.23040e+04    1.04023e+03   -2.75167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43420e+03    1.04237e+05    2.79249e+05   -1.71280e+04   -2.15011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19971e+04   -1.73095e+06    3.49573e+05   -1.38138e+06   -1.28999e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13728e+02   -2.10485e+02   -5.70336e+01    3.80684e-06

           Step           Time
       13340000    26680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57575e+03    1.83946e+04    1.24675e+04    1.10938e+03   -2.90562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48649e+03    1.03970e+05    2.81097e+05   -1.71755e+04   -2.15024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21438e+04   -1.72907e+06    3.47465e+05   -1.38161e+06   -1.28994e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11836e+02   -2.11651e+02    8.89331e+01    3.93132e-06

           Step           Time
       13345000    26690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64867e+03    1.84990e+04    1.23642e+04    1.10912e+03   -2.73293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40381e+03    1.03758e+05    2.78800e+05   -1.71321e+04   -2.14633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20048e+04   -1.72761e+06    3.48865e+05   -1.37874e+06   -1.28987e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13093e+02   -2.10585e+02   -6.89889e+01    3.95913e-06

           Step           Time
       13350000    26700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62942e+03    1.82946e+04    1.23381e+04    1.03145e+03   -2.64607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53487e+03    1.04080e+05    2.79978e+05   -1.71161e+04   -2.14990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20342e+04   -1.72974e+06    3.48318e+05   -1.38143e+06   -1.28985e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12601e+02   -2.10192e+02   -3.21545e+01    3.90792e-06

           Step           Time
       13355000    26710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57846e+03    1.84527e+04    1.22784e+04    1.10517e+03   -2.74309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47124e+03    1.03827e+05    2.79196e+05   -1.71263e+04   -2.14484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21218e+04   -1.72568e+06    3.47968e+05   -1.37771e+06   -1.28982e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12288e+02   -2.10441e+02    3.34804e+01    3.96084e-06

           Step           Time
       13360000    26720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55009e+03    1.80175e+04    1.22483e+04    1.06379e+03   -2.67702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47691e+03    1.04341e+05    2.80541e+05   -1.71433e+04   -2.15113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20858e+04   -1.73063e+06    3.48007e+05   -1.38262e+06   -1.28979e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12323e+02   -2.10860e+02    2.56294e+01    4.08341e-06

           Step           Time
       13365000    26730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34617e+03    1.85829e+04    1.24556e+04    1.05825e+03   -2.78618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36962e+03    1.04370e+05    2.78675e+05   -1.71142e+04   -2.14790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20000e+04   -1.72894e+06    3.48352e+05   -1.38059e+06   -1.28976e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12632e+02   -2.10146e+02   -3.93083e+01    3.93769e-06

           Step           Time
       13370000    26740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44542e+03    1.81661e+04    1.23265e+04    1.11612e+03   -2.80998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60358e+03    1.04205e+05    2.79673e+05   -1.71097e+04   -2.14992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21768e+04   -1.73012e+06    3.49327e+05   -1.38080e+06   -1.28973e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13507e+02   -2.10036e+02    1.60473e+01    3.92133e-06

           Step           Time
       13375000    26750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63279e+03    1.80061e+04    1.23258e+04    1.11258e+03   -2.79662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61482e+03    1.04535e+05    2.79727e+05   -1.71399e+04   -2.15010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20407e+04   -1.73004e+06    3.47736e+05   -1.38231e+06   -1.28963e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12079e+02   -2.10777e+02   -1.14008e+01    3.97456e-06

           Step           Time
       13380000    26760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73499e+03    1.81359e+04    1.23344e+04    1.06438e+03   -2.74632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58196e+03    1.04328e+05    2.79857e+05   -1.71522e+04   -2.14890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22151e+04   -1.72854e+06    3.48062e+05   -1.38048e+06   -1.28963e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12372e+02   -2.11078e+02    1.74690e+01    4.02845e-06

           Step           Time
       13385000    26770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65352e+03    1.84044e+04    1.24349e+04    9.78508e+02   -2.76430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46478e+03    1.04205e+05    2.80352e+05   -1.71922e+04   -2.15048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21208e+04   -1.72982e+06    3.49031e+05   -1.38079e+06   -1.28962e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13242e+02   -2.12063e+02    5.40421e+01    3.96268e-06

           Step           Time
       13390000    26780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56524e+03    1.80336e+04    1.26748e+04    1.13507e+03   -2.74961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47061e+03    1.04705e+05    2.81446e+05   -1.72080e+04   -2.15151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20851e+04   -1.72936e+06    3.51388e+05   -1.37797e+06   -1.28965e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15357e+02   -2.12452e+02    1.07608e+02    3.91795e-06

           Step           Time
       13395000    26790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30424e+03    1.82466e+04    1.24940e+04    1.10688e+03   -2.88940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52818e+03    1.04096e+05    2.76873e+05   -1.71588e+04   -2.14519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21294e+04   -1.72846e+06    3.48881e+05   -1.37958e+06   -1.28964e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13107e+02   -2.11241e+02   -6.59816e+01    4.06781e-06

           Step           Time
       13400000    26800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28446e+03    1.83069e+04    1.24337e+04    1.12102e+03   -2.79718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52675e+03    1.04341e+05    2.81097e+05   -1.72175e+04   -2.15189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20609e+04   -1.73073e+06    3.48490e+05   -1.38224e+06   -1.28950e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12756e+02   -2.12686e+02    1.88458e+02    3.85657e-06

           Step           Time
       13405000    26810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64969e+03    1.85532e+04    1.23072e+04    1.02491e+03   -2.74645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44303e+03    1.03958e+05    2.78618e+05   -1.71636e+04   -2.14624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21033e+04   -1.72749e+06    3.48380e+05   -1.37911e+06   -1.28950e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12657e+02   -2.11359e+02    1.70838e+01    4.06814e-06

           Step           Time
       13410000    26820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50622e+03    1.82604e+04    1.23685e+04    1.08278e+03   -2.76226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55210e+03    1.04256e+05    2.77009e+05   -1.71583e+04   -2.14759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19810e+04   -1.73049e+06    3.47076e+05   -1.38342e+06   -1.28948e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11487e+02   -2.11228e+02   -9.15957e+01    3.81643e-06

           Step           Time
       13415000    26830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43485e+03    1.81753e+04    1.24007e+04    1.13655e+03   -2.72939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50904e+03    1.04831e+05    2.80543e+05   -1.71611e+04   -2.15220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19371e+04   -1.73113e+06    3.48220e+05   -1.38291e+06   -1.28943e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12513e+02   -2.11296e+02    2.08849e+01    3.84899e-06

           Step           Time
       13420000    26840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56922e+03    1.83177e+04    1.23448e+04    1.11225e+03   -2.76387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52441e+03    1.04181e+05    2.77977e+05   -1.71678e+04   -2.14965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20278e+04   -1.73153e+06    3.47946e+05   -1.38358e+06   -1.28938e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12268e+02   -2.11461e+02   -8.02939e+01    3.85258e-06

           Step           Time
       13425000    26850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40825e+03    1.82508e+04    1.24012e+04    1.07708e+03   -2.74568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48907e+03    1.04253e+05    2.79957e+05   -1.71613e+04   -2.15041e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20723e+04   -1.73040e+06    3.48858e+05   -1.38155e+06   -1.28939e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13087e+02   -2.11304e+02    7.76673e+01    4.02697e-06

           Step           Time
       13430000    26860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37325e+03    1.84343e+04    1.23017e+04    1.10172e+03   -2.75937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55171e+03    1.04119e+05    2.79170e+05   -1.71570e+04   -2.14844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20339e+04   -1.72927e+06    3.48181e+05   -1.38109e+06   -1.28933e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12479e+02   -2.11197e+02    1.77055e+01    3.96976e-06

           Step           Time
       13435000    26870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71390e+03    1.78964e+04    1.23448e+04    1.13840e+03   -2.76079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56500e+03    1.04175e+05    2.80138e+05   -1.71701e+04   -2.15001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21268e+04   -1.72984e+06    3.48093e+05   -1.38175e+06   -1.28932e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12400e+02   -2.11518e+02   -1.86295e+01    3.99133e-06

           Step           Time
       13440000    26880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29886e+03    1.85294e+04    1.23378e+04    1.01751e+03   -2.88919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46629e+03    1.04095e+05    2.80671e+05   -1.71650e+04   -2.14992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21264e+04   -1.72943e+06    3.51094e+05   -1.37834e+06   -1.28931e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15093e+02   -2.11394e+02    1.03058e+02    4.05077e-06

           Step           Time
       13445000    26890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55905e+03    1.83418e+04    1.25812e+04    1.09769e+03   -2.74383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54618e+03    1.04177e+05    2.78329e+05   -1.71749e+04   -2.14741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20822e+04   -1.72862e+06    3.48917e+05   -1.37970e+06   -1.28925e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13140e+02   -2.11637e+02   -7.58862e+01    3.96476e-06

           Step           Time
       13450000    26900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74871e+03    1.84699e+04    1.23220e+04    1.04460e+03   -2.73772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50003e+03    1.03203e+05    2.80427e+05   -1.71440e+04   -2.15110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20427e+04   -1.73123e+06    3.50743e+05   -1.38048e+06   -1.28922e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14778e+02   -2.10876e+02   -2.36327e+01    3.87913e-06

           Step           Time
       13455000    26910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74807e+03    1.82099e+04    1.24098e+04    1.02091e+03   -2.78089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47994e+03    1.04235e+05    2.78780e+05   -1.71498e+04   -2.14878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19969e+04   -1.72984e+06    3.49262e+05   -1.38057e+06   -1.28916e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13449e+02   -2.11020e+02   -2.94904e+01    4.00518e-06

           Step           Time
       13460000    26920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65792e+03    1.82652e+04    1.22696e+04    1.11547e+03   -2.69699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49428e+03    1.04546e+05    2.76463e+05   -1.71335e+04   -2.14626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19750e+04   -1.72930e+06    3.48110e+05   -1.38119e+06   -1.28912e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12415e+02   -2.10620e+02   -1.22921e+02    3.92308e-06

           Step           Time
       13465000    26930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67457e+03    1.79963e+04    1.23393e+04    1.05633e+03   -2.76616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50910e+03    1.04094e+05    2.80103e+05   -1.71368e+04   -2.14975e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20131e+04   -1.72987e+06    3.48255e+05   -1.38161e+06   -1.28912e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12545e+02   -2.10700e+02    3.16394e+01    3.95346e-06

           Step           Time
       13470000    26940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53590e+03    1.81988e+04    1.24101e+04    1.05280e+03   -2.81167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55680e+03    1.03828e+05    2.78663e+05   -1.71272e+04   -2.14849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21575e+04   -1.73003e+06    3.48199e+05   -1.38183e+06   -1.28905e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12495e+02   -2.10464e+02   -2.66950e+00    3.85720e-06

           Step           Time
       13475000    26950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78199e+03    1.84633e+04    1.24331e+04    1.08192e+03   -2.78304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60748e+03    1.03791e+05    2.78520e+05   -1.71363e+04   -2.14838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20887e+04   -1.72953e+06    3.50734e+05   -1.37880e+06   -1.28904e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14770e+02   -2.10688e+02   -5.48485e+01    4.08590e-06

           Step           Time
       13480000    26960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61170e+03    1.82550e+04    1.26214e+04    1.02437e+03   -2.78617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57039e+03    1.03961e+05    2.81151e+05   -1.71744e+04   -2.14983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22083e+04   -1.72838e+06    3.47875e+05   -1.38051e+06   -1.28899e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12204e+02   -2.11624e+02    9.60660e+01    3.97755e-06

           Step           Time
       13485000    26970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70517e+03    1.78617e+04    1.25207e+04    1.04925e+03   -2.88887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55476e+03    1.03933e+05    2.80958e+05   -1.71475e+04   -2.15071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20002e+04   -1.73016e+06    3.48469e+05   -1.38169e+06   -1.28895e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12737e+02   -2.10964e+02    6.48798e+01    3.84825e-06

           Step           Time
       13490000    26980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46238e+03    1.79718e+04    1.23127e+04    1.04451e+03   -2.76537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51668e+03    1.04503e+05    2.82982e+05   -1.72077e+04   -2.15352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20707e+04   -1.73063e+06    3.47134e+05   -1.38350e+06   -1.28888e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11539e+02   -2.12446e+02    1.88737e+02    3.94922e-06

           Step           Time
       13495000    26990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58924e+03    1.82673e+04    1.23998e+04    1.07698e+03   -2.85245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49784e+03    1.03610e+05    2.81000e+05   -1.72328e+04   -2.15375e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20747e+04   -1.73332e+06    3.47531e+05   -1.38579e+06   -1.28885e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11896e+02   -2.13064e+02    5.03679e+01    3.82967e-06

           Step           Time
       13500000    27000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50734e+03    1.81972e+04    1.24535e+04    1.01591e+03   -2.89822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54406e+03    1.04151e+05    2.78791e+05   -1.71661e+04   -2.15072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20738e+04   -1.73205e+06    3.47436e+05   -1.38462e+06   -1.28881e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11810e+02   -2.11421e+02   -2.88782e+01    3.95133e-06

           Step           Time
       13505000    27010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54924e+03    1.80878e+04    1.23470e+04    1.03197e+03   -2.80564e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60389e+03    1.04124e+05    2.75986e+05   -1.71872e+04   -2.14633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19663e+04   -1.73063e+06    3.49017e+05   -1.38161e+06   -1.28880e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13229e+02   -2.11941e+02   -9.93738e+01    4.23562e-06

           Step           Time
       13510000    27020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75972e+03    1.84112e+04    1.23574e+04    1.12501e+03   -2.79801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51577e+03    1.03621e+05    2.78835e+05   -1.71649e+04   -2.14934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20374e+04   -1.73064e+06    3.48624e+05   -1.38202e+06   -1.28874e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12877e+02   -2.11391e+02   -7.40527e+01    4.04340e-06

           Step           Time
       13515000    27030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34166e+03    1.82074e+04    1.22444e+04    1.05146e+03   -2.77940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68590e+03    1.03977e+05    2.72524e+05   -1.70935e+04   -2.13825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24474e+04   -1.72564e+06    3.47360e+05   -1.37828e+06   -1.28872e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11743e+02   -2.09639e+02   -1.81962e+02    4.01048e-06

           Step           Time
       13520000    27040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64897e+03    1.82238e+04    1.22973e+04    1.18602e+03   -2.87215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35751e+03    1.03988e+05    2.80335e+05   -1.71193e+04   -2.14834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21287e+04   -1.72816e+06    3.48317e+05   -1.37985e+06   -1.28865e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12601e+02   -2.10271e+02    9.50014e+00    3.94862e-06

           Step           Time
       13525000    27050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44238e+03    1.79543e+04    1.25119e+04    1.11069e+03   -2.79042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57908e+03    1.04308e+05    2.79486e+05   -1.71599e+04   -2.14909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21460e+04   -1.72950e+06    3.48886e+05   -1.38062e+06   -1.28863e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13112e+02   -2.11269e+02    5.13449e+01    3.95298e-06

           Step           Time
       13530000    27060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71326e+03    1.83813e+04    1.25772e+04    1.08794e+03   -2.75636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57099e+03    1.03925e+05    2.80168e+05   -1.71866e+04   -2.14875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19682e+04   -1.72830e+06    3.49667e+05   -1.37864e+06   -1.28861e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13812e+02   -2.11924e+02    9.02389e+01    3.86618e-06

           Step           Time
       13535000    27070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46525e+03    1.82058e+04    1.25365e+04    1.04049e+03   -2.78776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50715e+03    1.03570e+05    2.80716e+05   -1.72048e+04   -2.15075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21283e+04   -1.73057e+06    3.48114e+05   -1.38246e+06   -1.28857e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12419e+02   -2.12375e+02    8.30800e+01    3.97344e-06

           Step           Time
       13540000    27080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69515e+03    1.86513e+04    1.23456e+04    1.09484e+03   -2.73400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53352e+03    1.03623e+05    2.78418e+05   -1.71962e+04   -2.14830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21711e+04   -1.72970e+06    3.49170e+05   -1.38053e+06   -1.28851e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13366e+02   -2.12162e+02    8.62722e+00    3.75190e-06

           Step           Time
       13545000    27090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43873e+03    1.83515e+04    1.24974e+04    1.04574e+03   -2.84277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54922e+03    1.04175e+05    2.78009e+05   -1.71567e+04   -2.14956e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18322e+04   -1.73166e+06    3.48231e+05   -1.38343e+06   -1.28849e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12524e+02   -2.11188e+02   -5.31286e+01    3.88376e-06

           Step           Time
       13550000    27100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52128e+03    1.81572e+04    1.23710e+04    1.07942e+03   -2.85420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43919e+03    1.04072e+05    2.80158e+05   -1.71585e+04   -2.14889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21432e+04   -1.72896e+06    3.47552e+05   -1.38141e+06   -1.28848e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11915e+02   -2.11233e+02   -1.94382e+01    4.05404e-06

           Step           Time
       13555000    27110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54285e+03    1.80233e+04    1.24535e+04    1.09088e+03   -2.84966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53877e+03    1.04096e+05    2.76447e+05   -1.71544e+04   -2.14555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21288e+04   -1.72923e+06    3.47833e+05   -1.38140e+06   -1.28846e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12167e+02   -2.11132e+02   -1.15327e+02    3.83695e-06

           Step           Time
       13560000    27120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62799e+03    1.81340e+04    1.22536e+04    1.06384e+03   -2.87818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62093e+03    1.04194e+05    2.80798e+05   -1.71485e+04   -2.15081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22105e+04   -1.72993e+06    3.47387e+05   -1.38254e+06   -1.28842e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11767e+02   -2.10989e+02    4.03500e+01    3.83194e-06

           Step           Time
       13565000    27130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69921e+03    1.81160e+04    1.24213e+04    1.15513e+03   -2.89817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56162e+03    1.04262e+05    2.77642e+05   -1.71519e+04   -2.14531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21528e+04   -1.72735e+06    3.50061e+05   -1.37729e+06   -1.28844e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14166e+02   -2.11071e+02   -5.81996e+01    3.88720e-06

           Step           Time
       13570000    27140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71378e+03    1.81723e+04    1.25195e+04    1.13495e+03   -2.91650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50240e+03    1.04126e+05    2.76156e+05   -1.72052e+04   -2.14547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22312e+04   -1.72903e+06    3.48064e+05   -1.38097e+06   -1.28838e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12374e+02   -2.12384e+02   -7.40360e+01    3.82454e-06

           Step           Time
       13575000    27150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75817e+03    1.82096e+04    1.25475e+04    1.07988e+03   -2.73827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54374e+03    1.03894e+05    2.78214e+05   -1.71768e+04   -2.14949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20334e+04   -1.73112e+06    3.47931e+05   -1.38319e+06   -1.28836e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12254e+02   -2.11684e+02   -7.97829e+01    3.98633e-06

           Step           Time
       13580000    27160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61640e+03    1.86717e+04    1.23654e+04    1.08569e+03   -2.79405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50101e+03    1.04082e+05    2.77330e+05   -1.71456e+04   -2.14745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21614e+04   -1.72958e+06    3.49660e+05   -1.37992e+06   -1.28831e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13806e+02   -2.10918e+02   -9.74849e+01    4.12729e-06

           Step           Time
       13585000    27170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64608e+03    1.83588e+04    1.25650e+04    1.07341e+03   -2.84449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47494e+03    1.04392e+05    2.80478e+05   -1.71565e+04   -2.14953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22731e+04   -1.72827e+06    3.49821e+05   -1.37845e+06   -1.28828e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13951e+02   -2.11185e+02    6.42336e+01    4.07711e-06

           Step           Time
       13590000    27180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45440e+03    1.80869e+04    1.25630e+04    1.11355e+03   -2.88826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59394e+03    1.04302e+05    2.79522e+05   -1.71540e+04   -2.14919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21278e+04   -1.72947e+06    3.47977e+05   -1.38149e+06   -1.28827e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12296e+02   -2.11123e+02   -2.26715e+01    4.12443e-06

           Step           Time
       13595000    27190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53173e+03    1.83655e+04    1.24266e+04    1.08477e+03   -2.79974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42304e+03    1.03970e+05    2.77686e+05   -1.71453e+04   -2.14879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20151e+04   -1.73124e+06    3.47413e+05   -1.38382e+06   -1.28820e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11789e+02   -2.10909e+02   -1.66030e+02    3.96367e-06

           Step           Time
       13600000    27200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30149e+03    1.84255e+04    1.25143e+04    1.03308e+03   -2.97662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63804e+03    1.03530e+05    2.78376e+05   -1.72064e+04   -2.14772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20389e+04   -1.73005e+06    3.47926e+05   -1.38212e+06   -1.28821e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12250e+02   -2.12413e+02    1.77002e+01    4.02468e-06

           Step           Time
       13605000    27210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28126e+03    1.87776e+04    1.23488e+04    1.16509e+03   -2.67695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44071e+03    1.03847e+05    2.81053e+05   -1.71879e+04   -2.15157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19976e+04   -1.73053e+06    3.48882e+05   -1.38164e+06   -1.28819e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13108e+02   -2.11958e+02    6.09858e+01    4.00810e-06

           Step           Time
       13610000    27220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88524e+03    1.82709e+04    1.24855e+04    1.11371e+03   -2.78538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55761e+03    1.03777e+05    2.80949e+05   -1.71523e+04   -2.14775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23548e+04   -1.72630e+06    3.49145e+05   -1.37715e+06   -1.28808e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13344e+02   -2.11082e+02    7.33624e+01    3.97694e-06

           Step           Time
       13615000    27230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58452e+03    1.83239e+04    1.22199e+04    1.09983e+03   -2.84069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45896e+03    1.04053e+05    2.78800e+05   -1.71603e+04   -2.14897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20785e+04   -1.73035e+06    3.49556e+05   -1.38079e+06   -1.28809e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13713e+02   -2.11278e+02   -9.25764e+00    3.96125e-06

           Step           Time
       13620000    27240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42104e+03    1.83379e+04    1.23019e+04    1.02407e+03   -2.76417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55651e+03    1.04672e+05    2.80721e+05   -1.71556e+04   -2.15219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20981e+04   -1.73097e+06    3.47979e+05   -1.38299e+06   -1.28807e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12298e+02   -2.11161e+02    6.34183e+01    3.87491e-06

           Step           Time
       13625000    27250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43713e+03    1.81557e+04    1.22797e+04    1.07452e+03   -2.74016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49324e+03    1.04121e+05    2.79465e+05   -1.71715e+04   -2.14872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20829e+04   -1.72952e+06    3.47723e+05   -1.38180e+06   -1.28803e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12068e+02   -2.11553e+02    1.49001e+01    3.83777e-06

           Step           Time
       13630000    27260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54163e+03    1.83791e+04    1.25979e+04    1.12826e+03   -2.77800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55118e+03    1.03412e+05    2.77013e+05   -1.71393e+04   -2.14652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20748e+04   -1.72974e+06    3.49413e+05   -1.38033e+06   -1.28800e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13584e+02   -2.10762e+02   -1.07969e+02    3.89812e-06

           Step           Time
       13635000    27270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52572e+03    1.81609e+04    1.24898e+04    1.10963e+03   -2.79465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65862e+03    1.04067e+05    2.77408e+05   -1.71612e+04   -2.14438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19849e+04   -1.72693e+06    3.47571e+05   -1.37936e+06   -1.28797e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11931e+02   -2.11299e+02    4.08302e+01    3.93031e-06

           Step           Time
       13640000    27280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68572e+03    1.82738e+04    1.24112e+04    1.07674e+03   -2.73534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45986e+03    1.03925e+05    2.79170e+05   -1.71857e+04   -2.14759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21583e+04   -1.72835e+06    3.49401e+05   -1.37895e+06   -1.28795e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13574e+02   -2.11903e+02   -4.42980e+00    3.88749e-06

           Step           Time
       13645000    27290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67017e+03    1.81675e+04    1.23616e+04    1.10415e+03   -2.80731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55753e+03    1.03621e+05    2.78425e+05   -1.71745e+04   -2.14568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20391e+04   -1.72771e+06    3.48114e+05   -1.37960e+06   -1.28789e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12419e+02   -2.11626e+02    3.61059e+01    3.95895e-06

           Step           Time
       13650000    27300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66832e+03    1.78418e+04    1.25078e+04    1.05148e+03   -2.87651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46040e+03    1.04355e+05    2.78821e+05   -1.71548e+04   -2.15052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22515e+04   -1.73159e+06    3.48803e+05   -1.38279e+06   -1.28787e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13037e+02   -2.11142e+02   -1.18002e+02    3.89232e-06

           Step           Time
       13655000    27310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54338e+03    1.81636e+04    1.22351e+04    1.07535e+03   -2.74116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59476e+03    1.04090e+05    2.79384e+05   -1.71570e+04   -2.14975e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19789e+04   -1.73059e+06    3.46885e+05   -1.38370e+06   -1.28782e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11315e+02   -2.11196e+02   -5.38008e+01    3.99324e-06

           Step           Time
       13660000    27320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59248e+03    1.82881e+04    1.23995e+04    1.11285e+03   -2.82244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58781e+03    1.03966e+05    2.77001e+05   -1.70984e+04   -2.14595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19149e+04   -1.72901e+06    3.50184e+05   -1.37883e+06   -1.28777e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14276e+02   -2.09759e+02   -9.48190e+01    3.92272e-06

           Step           Time
       13665000    27330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75847e+03    1.84472e+04    1.24977e+04    1.11236e+03   -2.77162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48040e+03    1.03691e+05    2.75837e+05   -1.71272e+04   -2.14560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21192e+04   -1.72956e+06    3.47749e+05   -1.38181e+06   -1.28767e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12091e+02   -2.10466e+02   -1.47046e+02    3.98723e-06

           Step           Time
       13670000    27340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71792e+03    1.86346e+04    1.24398e+04    1.09792e+03   -2.78216e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41789e+03    1.03727e+05    2.78592e+05   -1.71703e+04   -2.14605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21966e+04   -1.72718e+06    3.50595e+05   -1.37659e+06   -1.28768e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14645e+02   -2.11523e+02   -1.81694e+01    3.97994e-06

           Step           Time
       13675000    27350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59135e+03    1.80855e+04    1.25279e+04    1.16904e+03   -2.65953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49835e+03    1.03875e+05    2.80051e+05   -1.72054e+04   -2.15007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20412e+04   -1.73010e+06    3.47416e+05   -1.38268e+06   -1.28765e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11793e+02   -2.12387e+02    3.04484e+01    3.97017e-06

           Step           Time
       13680000    27360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52715e+03    1.82093e+04    1.26263e+04    1.03148e+03   -2.94236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59062e+03    1.03974e+05    2.79472e+05   -1.71832e+04   -2.14999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18715e+04   -1.73081e+06    3.48415e+05   -1.38240e+06   -1.28762e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12689e+02   -2.11841e+02    6.38874e+01    3.75793e-06

           Step           Time
       13685000    27370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36193e+03    1.85145e+04    1.23720e+04    1.10294e+03   -2.83534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49784e+03    1.03945e+05    2.78562e+05   -1.71630e+04   -2.14663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21650e+04   -1.72811e+06    3.50160e+05   -1.37795e+06   -1.28760e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14255e+02   -2.11343e+02    2.72929e+01    3.91145e-06

           Step           Time
       13690000    27380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62405e+03    1.80576e+04    1.22477e+04    1.12061e+03   -2.75840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34012e+03    1.04354e+05    2.81474e+05   -1.71673e+04   -2.15204e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19810e+04   -1.73077e+06    3.47636e+05   -1.38313e+06   -1.28752e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11989e+02   -2.11450e+02    5.73297e+01    3.76816e-06

           Step           Time
       13695000    27390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38559e+03    1.84881e+04    1.22888e+04    9.80519e+02   -2.80290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43781e+03    1.03861e+05    2.81870e+05   -1.71657e+04   -2.15287e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20213e+04   -1.73151e+06    3.48786e+05   -1.38272e+06   -1.28752e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13022e+02   -2.11409e+02    6.99532e+01    3.99985e-06

           Step           Time
       13700000    27400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52849e+03    1.78489e+04    1.24487e+04    1.08305e+03   -2.82381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52117e+03    1.03786e+05    2.78556e+05   -1.71864e+04   -2.14903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19628e+04   -1.73130e+06    3.47271e+05   -1.38403e+06   -1.28749e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11662e+02   -2.11921e+02   -4.36804e+01    3.74053e-06

           Step           Time
       13705000    27410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73546e+03    1.83811e+04    1.24644e+04    1.00815e+03   -2.87561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52670e+03    1.03479e+05    2.77457e+05   -1.71465e+04   -2.14604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21296e+04   -1.72888e+06    3.47543e+05   -1.38134e+06   -1.28747e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11906e+02   -2.10938e+02   -8.04152e+01    3.74079e-06

           Step           Time
       13710000    27420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33005e+03    1.81954e+04    1.23710e+04    9.91720e+02   -2.75134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59490e+03    1.03675e+05    2.78559e+05   -1.72099e+04   -2.15112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20089e+04   -1.73336e+06    3.46360e+05   -1.38700e+06   -1.28748e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10845e+02   -2.12499e+02   -3.93469e+01    3.69926e-06

           Step           Time
       13715000    27430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51811e+03    1.86970e+04    1.23866e+04    1.05553e+03   -2.76981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44705e+03    1.03857e+05    2.78241e+05   -1.71604e+04   -2.14477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20685e+04   -1.72643e+06    3.50830e+05   -1.37560e+06   -1.28744e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14857e+02   -2.11282e+02    3.95536e+01    3.99931e-06

           Step           Time
       13720000    27440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73487e+03    1.84403e+04    1.24386e+04    1.12891e+03   -2.86368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51886e+03    1.03540e+05    2.78378e+05   -1.71761e+04   -2.14816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20390e+04   -1.72998e+06    3.49543e+05   -1.38044e+06   -1.28742e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13701e+02   -2.11665e+02   -3.55936e+01    3.98608e-06

           Step           Time
       13725000    27450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28245e+03    1.83666e+04    1.22899e+04    1.10967e+03   -2.76822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70216e+03    1.04123e+05    2.79428e+05   -1.71647e+04   -2.14631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22572e+04   -1.72669e+06    3.48428e+05   -1.37826e+06   -1.28736e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12701e+02   -2.11387e+02    1.31583e+02    3.77793e-06

           Step           Time
       13730000    27460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46478e+03    1.79385e+04    1.24053e+04    1.12679e+03   -2.69675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54649e+03    1.04210e+05    2.78678e+05   -1.71620e+04   -2.14906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19854e+04   -1.73056e+06    3.48822e+05   -1.38174e+06   -1.28738e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13054e+02   -2.11319e+02   -1.65308e+00    3.74989e-06

           Step           Time
       13735000    27470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79888e+03    1.87121e+04    1.24552e+04    1.15709e+03   -2.89711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51152e+03    1.03604e+05    2.79269e+05   -1.71803e+04   -2.14944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20374e+04   -1.72997e+06    3.50876e+05   -1.37910e+06   -1.28732e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14897e+02   -2.11769e+02    2.05585e+01    3.77588e-06

           Step           Time
       13740000    27480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58074e+03    1.80908e+04    1.23003e+04    1.07678e+03   -2.73027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46041e+03    1.03947e+05    2.79293e+05   -1.71677e+04   -2.14950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20768e+04   -1.73057e+06    3.46870e+05   -1.38370e+06   -1.28732e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11302e+02   -2.11461e+02   -4.92959e+01    4.04777e-06

           Step           Time
       13745000    27490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90491e+03    1.79666e+04    1.22372e+04    1.09398e+03   -2.78599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45657e+03    1.04142e+05    2.77311e+05   -1.71676e+04   -2.14720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20978e+04   -1.72994e+06    3.48525e+05   -1.38141e+06   -1.28729e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12788e+02   -2.11457e+02   -7.32759e+01    3.85913e-06

           Step           Time
       13750000    27500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48575e+03    1.83902e+04    1.26062e+04    1.01809e+03   -2.80358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52155e+03    1.04260e+05    2.79209e+05   -1.71722e+04   -2.14965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21529e+04   -1.72998e+06    3.49312e+05   -1.38067e+06   -1.28724e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13494e+02   -2.11571e+02    6.38150e+01    3.94745e-06

           Step           Time
       13755000    27510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57564e+03    1.80612e+04    1.25922e+04    1.07347e+03   -2.80038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52475e+03    1.03876e+05    2.80832e+05   -1.71504e+04   -2.15172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20363e+04   -1.73110e+06    3.48211e+05   -1.38289e+06   -1.28722e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12506e+02   -2.11035e+02    4.74020e+01    3.98265e-06

           Step           Time
       13760000    27520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61892e+03    1.81366e+04    1.24305e+04    1.05989e+03   -2.86738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42700e+03    1.04012e+05    2.80423e+05   -1.71796e+04   -2.15123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19766e+04   -1.73119e+06    3.47986e+05   -1.38320e+06   -1.28717e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12304e+02   -2.11753e+02    3.94008e+01    3.80901e-06

           Step           Time
       13765000    27530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35426e+03    1.83783e+04    1.24891e+04    1.07277e+03   -2.96186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56283e+03    1.04238e+05    2.80894e+05   -1.71729e+04   -2.15242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20923e+04   -1.73147e+06    3.49025e+05   -1.38244e+06   -1.28712e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13237e+02   -2.11587e+02    8.41519e+01    3.80233e-06

           Step           Time
       13770000    27540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80975e+03    1.84448e+04    1.25873e+04    1.14839e+03   -2.92810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47054e+03    1.04434e+05    2.78561e+05   -1.71112e+04   -2.14609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20953e+04   -1.72657e+06    3.51062e+05   -1.37551e+06   -1.28709e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15065e+02   -2.10073e+02   -9.48125e+01    4.01371e-06

           Step           Time
       13775000    27550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52416e+03    1.82231e+04    1.22781e+04    1.01952e+03   -2.77167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58375e+03    1.04138e+05    2.81190e+05   -1.71785e+04   -2.15340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19593e+04   -1.73243e+06    3.48962e+05   -1.38347e+06   -1.28705e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13180e+02   -2.11725e+02    1.12106e+02    3.82390e-06

           Step           Time
       13780000    27560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59804e+03    1.81470e+04    1.22410e+04    1.09656e+03   -2.68110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50005e+03    1.04191e+05    2.79106e+05   -1.71528e+04   -2.15004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20622e+04   -1.73093e+06    3.49889e+05   -1.38104e+06   -1.28701e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14012e+02   -2.11095e+02    4.69662e+00    3.70285e-06

           Step           Time
       13785000    27570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61432e+03    1.82119e+04    1.24119e+04    1.04175e+03   -2.74695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47301e+03    1.04077e+05    2.77279e+05   -1.71877e+04   -2.14747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20464e+04   -1.73025e+06    3.48899e+05   -1.38135e+06   -1.28700e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13123e+02   -2.11952e+02   -1.16520e+01    3.73320e-06

           Step           Time
       13790000    27580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54433e+03    1.83142e+04    1.23868e+04    1.06255e+03   -2.83361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53984e+03    1.03759e+05    2.80269e+05   -1.71759e+04   -2.15302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21161e+04   -1.73304e+06    3.47973e+05   -1.38506e+06   -1.28696e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12293e+02   -2.11662e+02    1.26177e+00    3.79114e-06

           Step           Time
       13795000    27590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39449e+03    1.83606e+04    1.24288e+04    1.16656e+03   -2.72531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65312e+03    1.04276e+05    2.81780e+05   -1.71734e+04   -2.15218e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20264e+04   -1.72999e+06    3.47330e+05   -1.38266e+06   -1.28689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11715e+02   -2.11601e+02    1.80801e+02    3.96931e-06

           Step           Time
       13800000    27600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66707e+03    1.80844e+04    1.23533e+04    1.07561e+03   -2.78063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48605e+03    1.04346e+05    2.82132e+05   -1.71839e+04   -2.15503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20868e+04   -1.73276e+06    3.46950e+05   -1.38581e+06   -1.28689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11374e+02   -2.11857e+02    7.06023e+01    3.97590e-06

           Step           Time
       13805000    27610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40761e+03    1.81673e+04    1.23840e+04    1.06320e+03   -2.87359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63468e+03    1.04086e+05    2.80184e+05   -1.71999e+04   -2.15112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21334e+04   -1.73113e+06    3.48075e+05   -1.38305e+06   -1.28689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12384e+02   -2.12254e+02    1.21002e+02    3.73449e-06

           Step           Time
       13810000    27620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56333e+03    1.79874e+04    1.24911e+04    1.15031e+03   -2.88413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46664e+03    1.04706e+05    2.80420e+05   -1.71651e+04   -2.15150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22742e+04   -1.73049e+06    3.48933e+05   -1.38155e+06   -1.28683e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13154e+02   -2.11396e+02    2.89319e+01    3.82530e-06

           Step           Time
       13815000    27630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.17761e+03    1.83444e+04    1.24196e+04    1.10168e+03   -2.78813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56092e+03    1.04165e+05    2.77778e+05   -1.71607e+04   -2.14699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21574e+04   -1.72923e+06    3.48939e+05   -1.38029e+06   -1.28682e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13159e+02   -2.11289e+02    2.81188e+01    3.90827e-06

           Step           Time
       13820000    27640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49889e+03    1.85363e+04    1.23803e+04    1.06014e+03   -2.77390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42681e+03    1.03774e+05    2.79505e+05   -1.71607e+04   -2.15043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21258e+04   -1.73106e+06    3.48307e+05   -1.38275e+06   -1.28671e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12592e+02   -2.11287e+02    1.53122e+01    3.69515e-06

           Step           Time
       13825000    27650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53985e+03    1.81809e+04    1.25985e+04    1.18558e+03   -2.88763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41146e+03    1.04282e+05    2.79296e+05   -1.71898e+04   -2.15010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20169e+04   -1.73067e+06    3.49164e+05   -1.38151e+06   -1.28669e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13361e+02   -2.12005e+02   -8.62967e+00    3.75197e-06

           Step           Time
       13830000    27660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55881e+03    1.78468e+04    1.25680e+04    1.03178e+03   -2.82566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55742e+03    1.03873e+05    2.78281e+05   -1.71514e+04   -2.14763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22594e+04   -1.72963e+06    3.48250e+05   -1.38138e+06   -1.28667e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12541e+02   -2.11060e+02   -1.24600e+01    3.70845e-06

           Step           Time
       13835000    27670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60166e+03    1.82367e+04    1.24960e+04    1.14065e+03   -2.66790e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43206e+03    1.04148e+05    2.77500e+05   -1.71613e+04   -2.14753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22959e+04   -1.72951e+06    3.48436e+05   -1.38107e+06   -1.28659e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12708e+02   -2.11303e+02   -5.86194e+01    3.89648e-06

           Step           Time
       13840000    27680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56767e+03    1.81456e+04    1.22987e+04    1.06812e+03   -2.74031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43220e+03    1.04072e+05    2.80903e+05   -1.71772e+04   -2.15231e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20427e+04   -1.73170e+06    3.47327e+05   -1.38437e+06   -1.28660e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11713e+02   -2.11695e+02    3.69318e+01    3.94108e-06

           Step           Time
       13845000    27690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36829e+03    1.81354e+04    1.23836e+04    1.11441e+03   -2.84867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48946e+03    1.03978e+05    2.78753e+05   -1.71415e+04   -2.14884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19790e+04   -1.73063e+06    3.48385e+05   -1.38224e+06   -1.28662e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12662e+02   -2.10816e+02   -7.68530e+01    3.90527e-06

           Step           Time
       13850000    27700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36208e+03    1.83596e+04    1.24364e+04    1.16924e+03   -2.86837e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61462e+03    1.03773e+05    2.78939e+05   -1.71363e+04   -2.14905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21100e+04   -1.73029e+06    3.49321e+05   -1.38097e+06   -1.28655e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13502e+02   -2.10689e+02    8.52503e+01    3.89476e-06

           Step           Time
       13855000    27710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73456e+03    1.83935e+04    1.25744e+04    1.16430e+03   -2.72702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53758e+03    1.04185e+05    2.76694e+05   -1.71296e+04   -2.14336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20547e+04   -1.72588e+06    3.47612e+05   -1.37827e+06   -1.28648e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11968e+02   -2.10524e+02   -7.80949e+01    3.67222e-06

           Step           Time
       13860000    27720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61433e+03    1.84061e+04    1.25851e+04    1.06382e+03   -2.78569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55017e+03    1.03748e+05    2.78034e+05   -1.71520e+04   -2.14658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22916e+04   -1.72822e+06    3.49835e+05   -1.37839e+06   -1.28648e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13963e+02   -2.11073e+02    1.27291e+01    3.92559e-06

           Step           Time
       13865000    27730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96140e+03    1.84933e+04    1.26259e+04    1.07136e+03   -2.83106e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39665e+03    1.04076e+05    2.76129e+05   -1.71295e+04   -2.14464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20802e+04   -1.72777e+06    3.50452e+05   -1.37732e+06   -1.28643e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14517e+02   -2.10521e+02   -2.45286e+02    3.85876e-06

           Step           Time
       13870000    27740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54048e+03    1.82051e+04    1.23907e+04    1.10900e+03   -2.84231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63469e+03    1.04388e+05    2.78556e+05   -1.71712e+04   -2.14808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20130e+04   -1.72926e+06    3.51155e+05   -1.37810e+06   -1.28642e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15148e+02   -2.11547e+02    1.83811e+01    3.98238e-06

           Step           Time
       13875000    27750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51941e+03    1.85638e+04    1.24646e+04    1.08155e+03   -2.82638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47019e+03    1.04438e+05    2.80834e+05   -1.71735e+04   -2.15059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19722e+04   -1.72925e+06    3.49023e+05   -1.38023e+06   -1.28637e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13235e+02   -2.11602e+02    6.79289e+01    3.88301e-06

           Step           Time
       13880000    27760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57889e+03    1.83779e+04    1.23172e+04    1.05184e+03   -2.73538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51998e+03    1.03706e+05    2.81042e+05   -1.71448e+04   -2.15065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21044e+04   -1.72983e+06    3.45962e+05   -1.38387e+06   -1.28629e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10487e+02   -2.10897e+02    5.86054e+01    3.82213e-06

           Step           Time
       13885000    27770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77435e+03    1.80900e+04    1.23747e+04    1.06255e+03   -2.73490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48861e+03    1.04303e+05    2.79252e+05   -1.71563e+04   -2.14780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19975e+04   -1.72835e+06    3.47999e+05   -1.38035e+06   -1.28630e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12315e+02   -2.11180e+02   -2.13896e+01    3.95201e-06

           Step           Time
       13890000    27780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44438e+03    1.80944e+04    1.24433e+04    1.08742e+03   -2.84914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54838e+03    1.04318e+05    2.79394e+05   -1.71674e+04   -2.14978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21999e+04   -1.73026e+06    3.48529e+05   -1.38173e+06   -1.28625e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12792e+02   -2.11452e+02    1.41184e+01    3.99171e-06

           Step           Time
       13895000    27790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78609e+03    1.79834e+04    1.23827e+04    1.11079e+03   -2.81078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51953e+03    1.04562e+05    2.78344e+05   -1.71269e+04   -2.14483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23405e+04   -1.72573e+06    3.49615e+05   -1.37612e+06   -1.28622e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13766e+02   -2.10457e+02   -2.60298e+01    3.73828e-06

           Step           Time
       13900000    27800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61444e+03    1.79716e+04    1.25293e+04    1.12525e+03   -2.84589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42404e+03    1.04222e+05    2.79099e+05   -1.71287e+04   -2.15013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20078e+04   -1.73111e+06    3.50588e+05   -1.38053e+06   -1.28621e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14639e+02   -2.10500e+02   -7.56627e+01    3.82450e-06

           Step           Time
       13905000    27810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46688e+03    1.77592e+04    1.26172e+04    1.03505e+03   -2.84907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50741e+03    1.04539e+05    2.79415e+05   -1.71375e+04   -2.15090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21217e+04   -1.73143e+06    3.48092e+05   -1.38334e+06   -1.28616e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12400e+02   -2.10717e+02   -4.56813e+01    3.91928e-06

           Step           Time
       13910000    27820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50602e+03    1.78734e+04    1.25526e+04    1.20358e+03   -2.73771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49677e+03    1.04713e+05    2.78655e+05   -1.71646e+04   -2.14839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22023e+04   -1.72909e+06    3.48257e+05   -1.38083e+06   -1.28610e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12547e+02   -2.11383e+02   -1.32064e+01    3.66977e-06

           Step           Time
       13915000    27830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67530e+03    1.80444e+04    1.23278e+04    9.94895e+02   -2.79366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69777e+03    1.04760e+05    2.77974e+05   -1.71232e+04   -2.14534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22514e+04   -1.72653e+06    3.46858e+05   -1.37968e+06   -1.28602e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11292e+02   -2.10367e+02   -1.02490e+01    3.72044e-06

           Step           Time
       13920000    27840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43870e+03    1.81589e+04    1.23161e+04    1.05695e+03   -2.84761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51297e+03    1.05045e+05    2.80820e+05   -1.72306e+04   -2.15381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19249e+04   -1.73262e+06    3.48530e+05   -1.38409e+06   -1.28603e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12792e+02   -2.13011e+02    4.88541e+01    3.94612e-06

           Step           Time
       13925000    27850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41479e+03    1.79993e+04    1.25514e+04    1.05388e+03   -2.84870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62980e+03    1.04801e+05    2.78317e+05   -1.71200e+04   -2.14897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21480e+04   -1.73002e+06    3.47325e+05   -1.38270e+06   -1.28599e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11710e+02   -2.10287e+02   -5.22991e+01    3.82867e-06

           Step           Time
       13930000    27860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47936e+03    1.87187e+04    1.25591e+04    1.08532e+03   -2.67514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53660e+03    1.04520e+05    2.77895e+05   -1.71745e+04   -2.14598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21505e+04   -1.72688e+06    3.49872e+05   -1.37701e+06   -1.28593e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13996e+02   -2.11626e+02    4.25271e+01    3.76727e-06

           Step           Time
       13935000    27870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45213e+03    1.81717e+04    1.23906e+04    1.11963e+03   -2.67548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58562e+03    1.04810e+05    2.78750e+05   -1.71651e+04   -2.14812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20254e+04   -1.72866e+06    3.49384e+05   -1.37928e+06   -1.28593e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13559e+02   -2.11396e+02   -1.25631e-01    3.82488e-06

           Step           Time
       13940000    27880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44170e+03    1.78848e+04    1.23085e+04    1.09619e+03   -2.83429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51609e+03    1.04932e+05    2.75633e+05   -1.71285e+04   -2.14622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21495e+04   -1.73022e+06    3.47308e+05   -1.38292e+06   -1.28589e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11695e+02   -2.10497e+02   -1.94804e+02    3.94019e-06

           Step           Time
       13945000    27890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37550e+03    1.82855e+04    1.23648e+04    1.03829e+03   -2.76548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62636e+03    1.04874e+05    2.80213e+05   -1.71486e+04   -2.15029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20865e+04   -1.72934e+06    3.49580e+05   -1.37976e+06   -1.28589e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13734e+02   -2.10990e+02    7.33076e+01    3.80345e-06

           Step           Time
       13950000    27900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46285e+03    1.82516e+04    1.25003e+04    1.08205e+03   -2.73264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54473e+03    1.04571e+05    2.76991e+05   -1.71204e+04   -2.14487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22471e+04   -1.72707e+06    3.48391e+05   -1.37868e+06   -1.28580e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12667e+02   -2.10297e+02   -7.10923e+01    3.85519e-06

           Step           Time
       13955000    27910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54902e+03    1.78023e+04    1.23990e+04    1.09562e+03   -2.74454e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55123e+03    1.03884e+05    2.79133e+05   -1.72058e+04   -2.15212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20003e+04   -1.73366e+06    3.49252e+05   -1.38441e+06   -1.28577e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13440e+02   -2.12397e+02   -3.60887e+01    3.84047e-06

           Step           Time
       13960000    27920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48316e+03    1.83051e+04    1.26081e+04    1.04472e+03   -2.80547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49573e+03    1.04662e+05    2.78285e+05   -1.71240e+04   -2.14631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20389e+04   -1.72731e+06    3.48088e+05   -1.37923e+06   -1.28573e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12395e+02   -2.10387e+02   -1.10665e+01    4.03287e-06

           Step           Time
       13965000    27930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27189e+03    1.82582e+04    1.23002e+04    1.06465e+03   -2.63948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50357e+03    1.04683e+05    2.79174e+05   -1.71384e+04   -2.15117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19406e+04   -1.73175e+06    3.47983e+05   -1.38377e+06   -1.28571e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12301e+02   -2.10739e+02   -1.02226e+01    3.93634e-06

           Step           Time
       13970000    27940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54282e+03    1.81140e+04    1.22904e+04    1.00519e+03   -2.81236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46739e+03    1.04521e+05    2.80048e+05   -1.71888e+04   -2.15246e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20626e+04   -1.73241e+06    3.47967e+05   -1.38445e+06   -1.28564e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12287e+02   -2.11980e+02    2.08192e+01    3.75301e-06

           Step           Time
       13975000    27950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49722e+03    1.85633e+04    1.24086e+04    1.05075e+03   -2.72418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47266e+03    1.04209e+05    2.80938e+05   -1.71829e+04   -2.15168e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20407e+04   -1.73041e+06    3.47368e+05   -1.38304e+06   -1.28563e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11750e+02   -2.11834e+02    5.95055e+01    3.66214e-06

           Step           Time
       13980000    27960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52755e+03    1.82033e+04    1.23270e+04    1.03671e+03   -2.81143e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47114e+03    1.04771e+05    2.81218e+05   -1.71160e+04   -2.15257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21503e+04   -1.73079e+06    3.47822e+05   -1.38297e+06   -1.28558e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12157e+02   -2.10189e+02   -1.25346e+01    3.80420e-06

           Step           Time
       13985000    27970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53781e+03    1.83754e+04    1.22098e+04    1.10292e+03   -2.66091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47223e+03    1.03916e+05    2.79873e+05   -1.71687e+04   -2.15190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21049e+04   -1.73214e+06    3.48540e+05   -1.38360e+06   -1.28554e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12801e+02   -2.11484e+02    1.84770e+01    3.76356e-06

           Step           Time
       13990000    27980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75999e+03    1.80733e+04    1.25533e+04    1.11102e+03   -2.94346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53184e+03    1.04141e+05    2.80128e+05   -1.71947e+04   -2.15028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20721e+04   -1.73005e+06    3.47916e+05   -1.38213e+06   -1.28556e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12241e+02   -2.12125e+02    1.18606e+02    3.84564e-06

           Step           Time
       13995000    27990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39675e+03    1.82673e+04    1.26335e+04    1.20273e+03   -2.77500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56784e+03    1.04538e+05    2.79300e+05   -1.71690e+04   -2.15006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19870e+04   -1.73011e+06    3.49054e+05   -1.38105e+06   -1.28550e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13263e+02   -2.11492e+02   -7.74320e+00    3.97697e-06

           Step           Time
       14000000    28000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75182e+03    1.81367e+04    1.22675e+04    1.16163e+03   -2.82327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38742e+03    1.03981e+05    2.77358e+05   -1.71873e+04   -2.14787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20554e+04   -1.73078e+06    3.47916e+05   -1.38287e+06   -1.28548e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12241e+02   -2.11943e+02   -6.21742e+01    3.82827e-06

           Step           Time
       14005000    28010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57209e+03    1.81701e+04    1.23957e+04    1.07265e+03   -2.80781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48176e+03    1.04419e+05    2.78067e+05   -1.71328e+04   -2.14744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20558e+04   -1.72915e+06    3.48595e+05   -1.38055e+06   -1.28545e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12851e+02   -2.10602e+02   -8.34733e+01    3.89392e-06

           Step           Time
       14010000    28020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49234e+03    1.81942e+04    1.24539e+04    1.12113e+03   -2.83774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47663e+03    1.03853e+05    2.79863e+05   -1.71688e+04   -2.15065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20872e+04   -1.73111e+06    3.47555e+05   -1.38356e+06   -1.28538e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11917e+02   -2.11487e+02   -3.47820e+01    3.77470e-06

           Step           Time
       14015000    28030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64905e+03    1.83075e+04    1.23531e+04    1.07093e+03   -2.72755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43591e+03    1.04291e+05    2.79570e+05   -1.71839e+04   -2.15091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20324e+04   -1.73111e+06    3.48416e+05   -1.38270e+06   -1.28534e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12690e+02   -2.11859e+02   -1.67614e+01    4.01177e-06

           Step           Time
       14020000    28040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56307e+03    1.85746e+04    1.23610e+04    1.06141e+03   -2.89422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.29728e+03    1.03827e+05    2.79904e+05   -1.71520e+04   -2.14876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23762e+04   -1.72884e+06    3.49176e+05   -1.37967e+06   -1.28536e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13372e+02   -2.11075e+02   -2.63092e+01    3.88860e-06

           Step           Time
       14025000    28050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60281e+03    1.80380e+04    1.24580e+04    1.00132e+03   -2.80235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40824e+03    1.03966e+05    2.78648e+05   -1.71275e+04   -2.14821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22109e+04   -1.72981e+06    3.48841e+05   -1.38097e+06   -1.28534e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13071e+02   -2.10471e+02   -3.29669e+01    4.01558e-06

           Step           Time
       14030000    28060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42166e+03    1.85084e+04    1.24630e+04    1.00464e+03   -2.81083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60071e+03    1.04186e+05    2.79367e+05   -1.71858e+04   -2.14811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21615e+04   -1.72839e+06    3.48843e+05   -1.37955e+06   -1.28528e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13073e+02   -2.11904e+02    8.01240e+01    3.93258e-06

           Step           Time
       14035000    28070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47995e+03    1.83241e+04    1.24686e+04    1.05231e+03   -2.86187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45712e+03    1.04851e+05    2.79909e+05   -1.71631e+04   -2.15213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20222e+04   -1.73159e+06    3.48960e+05   -1.38263e+06   -1.28524e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13178e+02   -2.11347e+02   -2.47731e+01    3.82427e-06

           Step           Time
       14040000    28080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59700e+03    1.83769e+04    1.22732e+04    1.07406e+03   -2.89047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44929e+03    1.04198e+05    2.78960e+05   -1.71872e+04   -2.15115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21090e+04   -1.73219e+06    3.48403e+05   -1.38379e+06   -1.28517e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12679e+02   -2.11940e+02   -2.77594e+01    3.81418e-06

           Step           Time
       14045000    28090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44540e+03    1.83653e+04    1.22958e+04    1.00502e+03   -2.88385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56849e+03    1.04292e+05    2.79994e+05   -1.71687e+04   -2.14751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21544e+04   -1.72744e+06    3.49112e+05   -1.37833e+06   -1.28514e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13314e+02   -2.11483e+02    1.17444e+02    3.73726e-06

           Step           Time
       14050000    28100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49291e+03    1.83942e+04    1.25657e+04    1.03092e+03   -2.76026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52563e+03    1.04152e+05    2.76502e+05   -1.71467e+04   -2.14461e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20454e+04   -1.72781e+06    3.50350e+05   -1.37746e+06   -1.28512e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14426e+02   -2.10943e+02   -9.31866e+01    3.91233e-06

           Step           Time
       14055000    28110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84698e+03    1.82196e+04    1.24996e+04    1.03963e+03   -2.81595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51116e+03    1.03977e+05    2.79810e+05   -1.71881e+04   -2.15111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20241e+04   -1.73119e+06    3.49900e+05   -1.38129e+06   -1.28508e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14022e+02   -2.11962e+02    3.29935e+01    3.77980e-06

Writing checkpoint, step 14059200 at Thu Dec  7 09:42:56 2023


           Step           Time
       14060000    28120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.26021e+03    1.84081e+04    1.24254e+04    1.12829e+03   -2.84626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56947e+03    1.04527e+05    2.80737e+05   -1.72186e+04   -2.15074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21046e+04   -1.72964e+06    3.48965e+05   -1.38067e+06   -1.28504e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13183e+02   -2.12714e+02    1.42993e+02    3.81997e-06

           Step           Time
       14065000    28130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70940e+03    1.83614e+04    1.24044e+04    1.05569e+03   -2.91916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53614e+03    1.04351e+05    2.80341e+05   -1.71692e+04   -2.14828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20011e+04   -1.72761e+06    3.49485e+05   -1.37812e+06   -1.28500e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13649e+02   -2.11496e+02    1.23826e+02    3.78893e-06

           Step           Time
       14070000    28140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74419e+03    1.82983e+04    1.26089e+04    1.14206e+03   -2.91656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46606e+03    1.04167e+05    2.81444e+05   -1.72222e+04   -2.15143e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20819e+04   -1.72961e+06    3.49136e+05   -1.38048e+06   -1.28497e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13336e+02   -2.12802e+02    1.40042e+02    3.87405e-06

           Step           Time
       14075000    28150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49890e+03    1.80621e+04    1.25494e+04    1.09413e+03   -2.89452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47041e+03    1.04039e+05    2.79410e+05   -1.71754e+04   -2.15050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20443e+04   -1.73140e+06    3.50164e+05   -1.38124e+06   -1.28496e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14259e+02   -2.11649e+02    2.35162e+01    3.88829e-06

           Step           Time
       14080000    28160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62273e+03    1.79557e+04    1.23181e+04    1.10390e+03   -2.89331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46586e+03    1.03934e+05    2.76424e+05   -1.71935e+04   -2.14581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21540e+04   -1.72992e+06    3.46895e+05   -1.38302e+06   -1.28491e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11325e+02   -2.12095e+02   -1.16503e+02    3.94182e-06

           Step           Time
       14085000    28170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29793e+03    1.81936e+04    1.23859e+04    1.10114e+03   -2.91123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47180e+03    1.03788e+05    2.78387e+05   -1.71673e+04   -2.14701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22281e+04   -1.72924e+06    3.49421e+05   -1.37982e+06   -1.28490e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13591e+02   -2.11449e+02    2.68922e+01    3.83947e-06

           Step           Time
       14090000    28180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64485e+03    1.77291e+04    1.22823e+04    1.18629e+03   -2.73350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59786e+03    1.03970e+05    2.79834e+05   -1.71683e+04   -2.15043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22017e+04   -1.73089e+06    3.46849e+05   -1.38404e+06   -1.28484e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11284e+02   -2.11475e+02    1.45024e+01    3.78090e-06

           Step           Time
       14095000    28190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52777e+03    1.84287e+04    1.24582e+04    1.09191e+03   -2.88606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53069e+03    1.03963e+05    2.77418e+05   -1.71775e+04   -2.14536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21938e+04   -1.72781e+06    3.49764e+05   -1.37805e+06   -1.28483e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13900e+02   -2.11702e+02   -7.94816e+00    3.94796e-06

           Step           Time
       14100000    28200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64073e+03    1.88170e+04    1.24454e+04    1.17316e+03   -2.93829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56529e+03    1.03725e+05    2.78431e+05   -1.71566e+04   -2.14523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21552e+04   -1.72637e+06    3.51334e+05   -1.37504e+06   -1.28477e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15309e+02   -2.11186e+02   -7.09869e+00    3.93008e-06

           Step           Time
       14105000    28210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54845e+03    1.81881e+04    1.23091e+04    1.09950e+03   -2.78712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46794e+03    1.03992e+05    2.80154e+05   -1.71437e+04   -2.14909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20701e+04   -1.72919e+06    3.47840e+05   -1.38135e+06   -1.28475e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12173e+02   -2.10871e+02   -2.47871e+01    3.76300e-06

           Step           Time
       14110000    28220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48655e+03    1.80504e+04    1.23770e+04    1.06623e+03   -2.92020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64689e+03    1.04404e+05    2.80474e+05   -1.71622e+04   -2.15069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20680e+04   -1.73020e+06    3.48879e+05   -1.38132e+06   -1.28472e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13106e+02   -2.11324e+02    1.09230e+02    3.83915e-06

           Step           Time
       14115000    28230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49333e+03    1.82959e+04    1.25618e+04    1.14050e+03   -2.98492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48427e+03    1.04236e+05    2.79837e+05   -1.71724e+04   -2.15033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20410e+04   -1.73040e+06    3.49991e+05   -1.38041e+06   -1.28470e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14104e+02   -2.11575e+02    5.14456e+01    3.72938e-06

           Step           Time
       14120000    28240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39851e+03    1.79977e+04    1.25956e+04    1.10661e+03   -2.80314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42779e+03    1.04066e+05    2.80233e+05   -1.71773e+04   -2.15013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20866e+04   -1.73020e+06    3.47978e+05   -1.38222e+06   -1.28468e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12297e+02   -2.11696e+02    6.90299e+01    3.93111e-06

           Step           Time
       14125000    28250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59374e+03    1.82305e+04    1.23610e+04    1.03323e+03   -2.76018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47070e+03    1.04089e+05    2.78292e+05   -1.71752e+04   -2.14900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18829e+04   -1.73098e+06    3.49963e+05   -1.38102e+06   -1.28460e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14078e+02   -2.11645e+02   -2.37849e+01    4.07581e-06

           Step           Time
       14130000    28260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66760e+03    1.83649e+04    1.25010e+04    1.13699e+03   -2.82288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46970e+03    1.03800e+05    2.77706e+05   -1.71848e+04   -2.14568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22429e+04   -1.72780e+06    3.49277e+05   -1.37853e+06   -1.28458e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13462e+02   -2.11880e+02   -2.76435e+01    3.91929e-06

           Step           Time
       14135000    28270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56021e+03    1.80452e+04    1.24823e+04    1.07554e+03   -2.87186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52201e+03    1.03532e+05    2.81344e+05   -1.71554e+04   -2.15223e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19797e+04   -1.73172e+06    3.49152e+05   -1.38257e+06   -1.28456e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13350e+02   -2.11158e+02    3.05118e+01    4.01865e-06

           Step           Time
       14140000    28280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73919e+03    1.84142e+04    1.25730e+04    1.09586e+03   -2.89567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45917e+03    1.03722e+05    2.80235e+05   -1.71858e+04   -2.14850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22095e+04   -1.72813e+06    3.47960e+05   -1.38017e+06   -1.28450e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12281e+02   -2.11904e+02    6.72573e+01    3.83682e-06

           Step           Time
       14145000    28290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59704e+03    1.79068e+04    1.24519e+04    1.06274e+03   -2.74366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48585e+03    1.03897e+05    2.78874e+05   -1.71617e+04   -2.14797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19432e+04   -1.72965e+06    3.49647e+05   -1.38000e+06   -1.28450e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13795e+02   -2.11313e+02   -3.65417e+01    3.99597e-06

           Step           Time
       14150000    28300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56061e+03    1.84972e+04    1.25275e+04    1.10857e+03   -2.97571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60581e+03    1.03854e+05    2.79964e+05   -1.71613e+04   -2.15049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20497e+04   -1.73046e+06    3.49013e+05   -1.38145e+06   -1.28443e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13225e+02   -2.11301e+02    6.23949e+01    3.81242e-06

           Step           Time
       14155000    28310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42190e+03    1.84954e+04    1.23239e+04    1.13087e+03   -2.78133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55572e+03    1.03950e+05    2.77187e+05   -1.71529e+04   -2.14410e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20895e+04   -1.72688e+06    3.49176e+05   -1.37771e+06   -1.28439e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13372e+02   -2.11096e+02   -2.05704e+01    3.97032e-06

           Step           Time
       14160000    28320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89226e+03    1.84616e+04    1.26004e+04    1.04015e+03   -2.87372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51770e+03    1.04323e+05    2.79874e+05   -1.71843e+04   -2.14767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19332e+04   -1.72709e+06    3.49518e+05   -1.37757e+06   -1.28436e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13678e+02   -2.11870e+02    2.18514e+01    3.95122e-06

           Step           Time
       14165000    28330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73392e+03    1.83535e+04    1.23008e+04    1.07845e+03   -2.94364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69121e+03    1.04539e+05    2.79477e+05   -1.72073e+04   -2.14835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21723e+04   -1.72815e+06    3.50173e+05   -1.37798e+06   -1.28432e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14267e+02   -2.12434e+02    8.52739e+01    3.72460e-06

           Step           Time
       14170000    28340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44099e+03    1.79655e+04    1.24642e+04    1.19376e+03   -2.85812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54874e+03    1.04021e+05    2.78528e+05   -1.71599e+04   -2.14871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21083e+04   -1.73046e+06    3.47830e+05   -1.38263e+06   -1.28432e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12164e+02   -2.11269e+02    2.11375e+00    3.83577e-06

           Step           Time
       14175000    28350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91900e+03    1.80745e+04    1.24344e+04    1.09414e+03   -2.77426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53281e+03    1.03919e+05    2.78173e+05   -1.71873e+04   -2.14914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20554e+04   -1.73090e+06    3.48213e+05   -1.38269e+06   -1.28428e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12507e+02   -2.11943e+02   -3.43015e+01    3.72393e-06

           Step           Time
       14180000    28360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50609e+03    1.83365e+04    1.25053e+04    1.05685e+03   -2.84599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48857e+03    1.03790e+05    2.79094e+05   -1.71484e+04   -2.14897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19319e+04   -1.73025e+06    3.49507e+05   -1.38075e+06   -1.28426e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13669e+02   -2.10985e+02   -5.04581e+01    3.79243e-06

           Step           Time
       14185000    28370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45989e+03    1.79219e+04    1.23417e+04    1.11187e+03   -2.85276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44047e+03    1.04021e+05    2.77887e+05   -1.71482e+04   -2.14762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21282e+04   -1.73031e+06    3.48308e+05   -1.38201e+06   -1.28428e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12593e+02   -2.10981e+02   -6.13186e+01    3.86070e-06

           Step           Time
       14190000    28380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52015e+03    1.85223e+04    1.24976e+04    1.09415e+03   -2.87028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46672e+03    1.03818e+05    2.78121e+05   -1.71411e+04   -2.14741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21920e+04   -1.72919e+06    3.48869e+05   -1.38032e+06   -1.28417e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13096e+02   -2.10806e+02   -5.71952e+01    3.63147e-06

           Step           Time
       14195000    28390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47874e+03    1.84078e+04    1.23270e+04    1.10072e+03   -2.88064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50807e+03    1.04142e+05    2.78207e+05   -1.71467e+04   -2.14755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22128e+04   -1.72919e+06    3.47426e+05   -1.38176e+06   -1.28414e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11801e+02   -2.10942e+02   -5.40942e+01    4.02534e-06

           Step           Time
       14200000    28400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77864e+03    1.80127e+04    1.24790e+04    1.09270e+03   -2.87198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56058e+03    1.04244e+05    2.81150e+05   -1.71713e+04   -2.15194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19745e+04   -1.73070e+06    3.48173e+05   -1.38252e+06   -1.28412e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12472e+02   -2.11547e+02    1.11631e+02    3.79061e-06

           Step           Time
       14205000    28410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76127e+03    1.80660e+04    1.23575e+04    1.04296e+03   -2.89113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45632e+03    1.03606e+05    2.78568e+05   -1.71278e+04   -2.14469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22784e+04   -1.72657e+06    3.50208e+05   -1.37636e+06   -1.28416e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14298e+02   -2.10478e+02   -3.21273e+01    3.79835e-06

           Step           Time
       14210000    28420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48805e+03    1.83293e+04    1.24400e+04    1.07936e+03   -2.80958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53858e+03    1.03627e+05    2.79315e+05   -1.71981e+04   -2.14847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23416e+04   -1.72932e+06    3.48851e+05   -1.38047e+06   -1.28412e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13080e+02   -2.12209e+02    4.80387e+01    3.81363e-06

           Step           Time
       14215000    28430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38288e+03    1.82859e+04    1.24288e+04    1.19148e+03   -2.88160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54364e+03    1.04093e+05    2.81256e+05   -1.71832e+04   -2.14909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20297e+04   -1.72794e+06    3.47191e+05   -1.38075e+06   -1.28403e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11590e+02   -2.11842e+02    1.86025e+02    3.73030e-06

           Step           Time
       14220000    28440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62288e+03    1.81534e+04    1.25991e+04    1.04174e+03   -2.78971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45218e+03    1.04091e+05    2.78463e+05   -1.71115e+04   -2.14678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20817e+04   -1.72817e+06    3.49467e+05   -1.37871e+06   -1.28404e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13633e+02   -2.10079e+02   -8.42447e+01    3.81514e-06

           Step           Time
       14225000    28450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37990e+03    1.81171e+04    1.25585e+04    1.08968e+03   -2.79917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50269e+03    1.03988e+05    2.79078e+05   -1.71703e+04   -2.14951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20653e+04   -1.73070e+06    3.50546e+05   -1.38015e+06   -1.28404e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14601e+02   -2.11523e+02    1.94137e+01    3.76434e-06

           Step           Time
       14230000    28460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38439e+03    1.82074e+04    1.22994e+04    1.07892e+03   -2.76521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56660e+03    1.04267e+05    2.77654e+05   -1.71208e+04   -2.14673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19925e+04   -1.72916e+06    3.47569e+05   -1.38160e+06   -1.28392e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11929e+02   -2.10306e+02   -2.00299e+00    3.78264e-06

           Step           Time
       14235000    28470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43210e+03    1.83167e+04    1.25078e+04    1.09299e+03   -2.84495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51809e+03    1.04409e+05    2.78537e+05   -1.71579e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20932e+04   -1.73029e+06    3.50807e+05   -1.37949e+06   -1.28389e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14836e+02   -2.11219e+02   -3.34803e+01    3.88079e-06

           Step           Time
       14240000    28480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29474e+03    1.81127e+04    1.25224e+04    1.13684e+03   -2.91677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52067e+03    1.04490e+05    2.79244e+05   -1.71498e+04   -2.15018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19544e+04   -1.73097e+06    3.49224e+05   -1.38175e+06   -1.28390e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13415e+02   -2.11021e+02   -4.15288e+01    3.86875e-06

           Step           Time
       14245000    28490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42444e+03    1.82068e+04    1.23539e+04    1.10852e+03   -2.80154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51094e+03    1.03637e+05    2.80235e+05   -1.71995e+04   -2.15224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22015e+04   -1.73256e+06    3.49154e+05   -1.38341e+06   -1.28383e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13352e+02   -2.12242e+02    2.61005e+01    3.84047e-06

           Step           Time
       14250000    28500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63971e+03    1.81038e+04    1.24854e+04    1.07602e+03   -2.79525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53482e+03    1.04343e+05    2.81104e+05   -1.71685e+04   -2.15283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21119e+04   -1.73140e+06    3.48435e+05   -1.38297e+06   -1.28379e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12707e+02   -2.11478e+02    7.86188e+00    3.88520e-06

           Step           Time
       14255000    28510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52403e+03    1.83278e+04    1.25078e+04    1.03641e+03   -2.75807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45377e+03    1.04499e+05    2.80487e+05   -1.71476e+04   -2.14970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20340e+04   -1.72874e+06    3.48419e+05   -1.38032e+06   -1.28377e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12693e+02   -2.10965e+02    4.06944e+01    3.75031e-06

           Step           Time
       14260000    28520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62448e+03    1.82321e+04    1.26703e+04    1.12604e+03   -2.89516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39004e+03    1.04573e+05    2.79942e+05   -1.71324e+04   -2.14905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18876e+04   -1.72863e+06    3.49937e+05   -1.37869e+06   -1.28378e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14055e+02   -2.10593e+02   -1.26409e+01    3.98492e-06

           Step           Time
       14265000    28530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53815e+03    1.82769e+04    1.23569e+04    1.07970e+03   -2.71767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58421e+03    1.04092e+05    2.79155e+05   -1.71366e+04   -2.14804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21730e+04   -1.72864e+06    3.49072e+05   -1.37956e+06   -1.28374e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13279e+02   -2.10696e+02    5.42253e+00    3.98816e-06

           Step           Time
       14270000    28540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70647e+03    1.82380e+04    1.23516e+04    1.05759e+03   -2.84870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50990e+03    1.03856e+05    2.78834e+05   -1.71448e+04   -2.14789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20937e+04   -1.72923e+06    3.47953e+05   -1.38128e+06   -1.28372e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12275e+02   -2.10896e+02   -4.30420e+01    3.82450e-06

           Step           Time
       14275000    28550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63410e+03    1.80589e+04    1.23682e+04    1.02250e+03   -2.72539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50195e+03    1.04142e+05    2.80781e+05   -1.71866e+04   -2.15145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20397e+04   -1.73082e+06    3.47663e+05   -1.38315e+06   -1.28367e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12014e+02   -2.11925e+02    6.57508e+01    3.79693e-06

           Step           Time
       14280000    28560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34933e+03    1.81134e+04    1.23810e+04    1.07894e+03   -2.73712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68425e+03    1.04275e+05    2.79314e+05   -1.71392e+04   -2.14864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21736e+04   -1.72915e+06    3.48350e+05   -1.38080e+06   -1.28363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12630e+02   -2.10759e+02    1.72517e+01    3.80853e-06

           Step           Time
       14285000    28570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53440e+03    1.82741e+04    1.24248e+04    1.06878e+03   -2.82541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63523e+03    1.03898e+05    2.81446e+05   -1.71350e+04   -2.14942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21539e+04   -1.72794e+06    3.51144e+05   -1.37680e+06   -1.28361e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15138e+02   -2.10656e+02    1.60759e+02    3.83723e-06

           Step           Time
       14290000    28580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59474e+03    1.82662e+04    1.24268e+04    1.07844e+03   -2.73771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48236e+03    1.03926e+05    2.80745e+05   -1.71825e+04   -2.14895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20824e+04   -1.72827e+06    3.49687e+05   -1.37858e+06   -1.28358e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13831e+02   -2.11823e+02    1.45184e+02    4.01220e-06

           Step           Time
       14295000    28590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62955e+03    1.85700e+04    1.22767e+04    1.08293e+03   -2.82699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.36526e+03    1.03657e+05    2.79166e+05   -1.71210e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21504e+04   -1.73025e+06    3.47655e+05   -1.38259e+06   -1.28352e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12007e+02   -2.10311e+02   -1.19265e+02    3.99538e-06

           Step           Time
       14300000    28600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61836e+03    1.80607e+04    1.23497e+04    1.06735e+03   -2.82678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49030e+03    1.04165e+05    2.77824e+05   -1.71789e+04   -2.14740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21191e+04   -1.72971e+06    3.49381e+05   -1.38033e+06   -1.28351e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13556e+02   -2.11736e+02   -4.30142e+00    3.77167e-06

           Step           Time
       14305000    28610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54240e+03    1.87358e+04    1.22720e+04    1.05267e+03   -2.74892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37551e+03    1.04341e+05    2.79334e+05   -1.71747e+04   -2.14746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20860e+04   -1.72764e+06    3.48140e+05   -1.37950e+06   -1.28349e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12442e+02   -2.11632e+02    3.53801e+01    3.78343e-06

           Step           Time
       14310000    28620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37424e+03    1.80826e+04    1.24632e+04    1.15227e+03   -2.76020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53922e+03    1.04345e+05    2.77011e+05   -1.71532e+04   -2.14705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20256e+04   -1.72997e+06    3.50384e+05   -1.37959e+06   -1.28352e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14456e+02   -2.11103e+02   -8.34240e+01    3.92210e-06

           Step           Time
       14315000    28630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60841e+03    1.77360e+04    1.24714e+04    1.07788e+03   -2.74746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54326e+03    1.04535e+05    2.80365e+05   -1.71188e+04   -2.15081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21804e+04   -1.73016e+06    3.49856e+05   -1.38030e+06   -1.28346e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13982e+02   -2.10258e+02    9.75663e+00    3.93822e-06

           Step           Time
       14320000    28640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52258e+03    1.83450e+04    1.24335e+04    1.11690e+03   -2.73983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53626e+03    1.03871e+05    2.80763e+05   -1.71814e+04   -2.15213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20976e+04   -1.73136e+06    3.48660e+05   -1.38270e+06   -1.28339e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12909e+02   -2.11797e+02    8.61794e+01    3.82865e-06

           Step           Time
       14325000    28650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32425e+03    1.80798e+04    1.24380e+04    1.10274e+03   -2.77185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54059e+03    1.04769e+05    2.82686e+05   -1.71622e+04   -2.15358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21861e+04   -1.73039e+06    3.48336e+05   -1.38205e+06   -1.28334e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12618e+02   -2.11325e+02    1.29626e+02    3.90734e-06

           Step           Time
       14330000    28660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57162e+03    1.85927e+04    1.24437e+04    1.09260e+03   -2.73252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43190e+03    1.03578e+05    2.77347e+05   -1.71375e+04   -2.14647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21401e+04   -1.72914e+06    3.48061e+05   -1.38108e+06   -1.28328e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12371e+02   -2.10717e+02   -8.67250e+01    3.67548e-06

           Step           Time
       14335000    28670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71662e+03    1.80464e+04    1.24389e+04    1.15743e+03   -2.82330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60582e+03    1.04868e+05    2.78197e+05   -1.71363e+04   -2.14705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22540e+04   -1.72773e+06    3.48714e+05   -1.37901e+06   -1.28326e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12957e+02   -2.10687e+02   -5.47986e+00    3.85079e-06

           Step           Time
       14340000    28680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48875e+03    1.80643e+04    1.25741e+04    1.14969e+03   -2.77244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48581e+03    1.04375e+05    2.79938e+05   -1.71389e+04   -2.14912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21678e+04   -1.72879e+06    3.48258e+05   -1.38053e+06   -1.28328e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12548e+02   -2.10753e+02    6.55007e+01    3.99219e-06

           Step           Time
       14345000    28690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61340e+03    1.80647e+04    1.24260e+04    1.16762e+03   -2.77973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50654e+03    1.04454e+05    2.80724e+05   -1.72095e+04   -2.15295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20561e+04   -1.73193e+06    3.48534e+05   -1.38340e+06   -1.28320e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12796e+02   -2.12489e+02    5.04373e+01    3.80491e-06

           Step           Time
       14350000    28700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32676e+03    1.84397e+04    1.23243e+04    1.12109e+03   -2.80899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58222e+03    1.04316e+05    2.79254e+05   -1.71426e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21380e+04   -1.72965e+06    3.48646e+05   -1.38101e+06   -1.28318e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12896e+02   -2.10842e+02    3.26519e+00    3.69304e-06

           Step           Time
       14355000    28710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65395e+03    1.81106e+04    1.24382e+04    1.13043e+03   -2.79235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44734e+03    1.04414e+05    2.78129e+05   -1.71509e+04   -2.14957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20805e+04   -1.73111e+06    3.47987e+05   -1.38312e+06   -1.28315e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12305e+02   -2.11046e+02   -7.61498e+01    3.86481e-06

           Step           Time
       14360000    28720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45755e+03    1.82468e+04    1.23772e+04    1.13693e+03   -2.82722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52843e+03    1.04115e+05    2.80894e+05   -1.71168e+04   -2.15204e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20141e+04   -1.73121e+06    3.47811e+05   -1.38340e+06   -1.28309e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12147e+02   -2.10209e+02    5.42079e+01    3.80443e-06

           Step           Time
       14365000    28730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.31583e+03    1.79036e+04    1.24168e+04    1.07064e+03   -2.78983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63345e+03    1.04404e+05    2.80684e+05   -1.71678e+04   -2.15025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20696e+04   -1.72970e+06    3.47333e+05   -1.38237e+06   -1.28306e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11718e+02   -2.11462e+02    1.35639e+02    3.87594e-06

           Step           Time
       14370000    28740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60798e+03    1.78458e+04    1.24677e+04    1.13851e+03   -2.77759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52164e+03    1.04443e+05    2.80522e+05   -1.71648e+04   -2.14934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21727e+04   -1.72857e+06    3.48201e+05   -1.38036e+06   -1.28305e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12497e+02   -2.11388e+02    4.15428e+01    3.96963e-06

           Step           Time
       14375000    28750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36801e+03    1.84321e+04    1.24338e+04    1.09396e+03   -2.78434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52810e+03    1.04348e+05    2.79029e+05   -1.71326e+04   -2.14855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22872e+04   -1.72895e+06    3.47696e+05   -1.38125e+06   -1.28300e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12044e+02   -2.10598e+02   -3.73512e+01    3.89925e-06

           Step           Time
       14380000    28760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.25056e+03    1.82037e+04    1.25269e+04    1.08000e+03   -2.84783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60983e+03    1.04467e+05    2.79714e+05   -1.71641e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20483e+04   -1.72931e+06    3.48875e+05   -1.38044e+06   -1.28302e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13101e+02   -2.11370e+02    6.50719e+01    3.98398e-06

           Step           Time
       14385000    28770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41016e+03    1.82348e+04    1.23754e+04    1.11887e+03   -2.93668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52187e+03    1.04295e+05    2.81460e+05   -1.71836e+04   -2.15390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19883e+04   -1.73262e+06    3.48719e+05   -1.38390e+06   -1.28299e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12961e+02   -2.11851e+02    7.40489e+01    3.94672e-06

           Step           Time
       14390000    28780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76253e+03    1.82410e+04    1.24421e+04    1.03429e+03   -2.85199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42977e+03    1.04391e+05    2.79003e+05   -1.71677e+04   -2.14959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21371e+04   -1.73016e+06    3.49385e+05   -1.38078e+06   -1.28292e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13560e+02   -2.11461e+02   -5.49851e+01    4.09788e-06

           Step           Time
       14395000    28790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57511e+03    1.83371e+04    1.25097e+04    1.08679e+03   -2.75673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47775e+03    1.04403e+05    2.78766e+05   -1.71827e+04   -2.14706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20997e+04   -1.72775e+06    3.48672e+05   -1.37907e+06   -1.28291e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12920e+02   -2.11828e+02    4.32673e+01    3.90908e-06

           Step           Time
       14400000    28800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51862e+03    1.82026e+04    1.24600e+04    1.21156e+03   -2.78457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50929e+03    1.03916e+05    2.78700e+05   -1.71431e+04   -2.14742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20701e+04   -1.72876e+06    3.48863e+05   -1.37989e+06   -1.28285e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13091e+02   -2.10856e+02   -7.74159e+01    4.04393e-06

           Step           Time
       14405000    28810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60285e+03    1.81440e+04    1.25234e+04    1.15295e+03   -2.79277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43764e+03    1.04201e+05    2.77631e+05   -1.71640e+04   -2.14763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21171e+04   -1.72978e+06    3.47529e+05   -1.38225e+06   -1.28285e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11894e+02   -2.11368e+02   -9.35858e+01    3.82008e-06

           Step           Time
       14410000    28820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61027e+03    1.80784e+04    1.25899e+04    1.12975e+03   -2.64861e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44076e+03    1.04134e+05    2.79424e+05   -1.71656e+04   -2.14772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22564e+04   -1.72787e+06    3.49183e+05   -1.37869e+06   -1.28279e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13378e+02   -2.11408e+02   -1.31054e+01    3.94301e-06

           Step           Time
       14415000    28830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45053e+03    1.86681e+04    1.22207e+04    1.07018e+03   -2.75669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50332e+03    1.04102e+05    2.76982e+05   -1.71382e+04   -2.14445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19959e+04   -1.72735e+06    3.48339e+05   -1.37901e+06   -1.28274e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12620e+02   -2.10733e+02   -3.84502e+01    3.90262e-06

           Step           Time
       14420000    28840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54141e+03    1.84971e+04    1.24166e+04    1.18587e+03   -2.75633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60362e+03    1.04496e+05    2.80090e+05   -1.72261e+04   -2.15127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20662e+04   -1.73036e+06    3.48316e+05   -1.38204e+06   -1.28267e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12600e+02   -2.12899e+02    1.05193e+02    3.87584e-06

           Step           Time
       14425000    28850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50040e+03    1.84582e+04    1.23348e+04    1.02141e+03   -2.82773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48035e+03    1.04076e+05    2.77850e+05   -1.71577e+04   -2.14677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20584e+04   -1.72898e+06    3.47641e+05   -1.38134e+06   -1.28267e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11995e+02   -2.11213e+02    4.35919e+00    3.89550e-06

           Step           Time
       14430000    28860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47792e+03    1.81888e+04    1.24540e+04    1.09204e+03   -2.78658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61817e+03    1.04290e+05    2.80776e+05   -1.71591e+04   -2.15009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19644e+04   -1.72917e+06    3.48073e+05   -1.38110e+06   -1.28267e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12382e+02   -2.11249e+02    1.59288e+02    3.98740e-06

           Step           Time
       14435000    28870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.11495e+03    1.79351e+04    1.23969e+04    1.05515e+03   -2.74095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40818e+03    1.04214e+05    2.80982e+05   -1.71652e+04   -2.15196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.17995e+04   -1.73196e+06    3.48220e+05   -1.38374e+06   -1.28267e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12514e+02   -2.11399e+02    7.42861e+01    3.99265e-06

           Step           Time
       14440000    28880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65149e+03    1.80914e+04    1.22893e+04    1.13228e+03   -2.78489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45105e+03    1.04044e+05    2.79300e+05   -1.71549e+04   -2.14744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19744e+04   -1.72845e+06    3.48336e+05   -1.38011e+06   -1.28259e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12618e+02   -2.11145e+02   -3.92843e+01    3.83591e-06

           Step           Time
       14445000    28890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44374e+03    1.77099e+04    1.24496e+04    1.17631e+03   -2.84958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57570e+03    1.04293e+05    2.79078e+05   -1.71500e+04   -2.14829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19614e+04   -1.72960e+06    3.48545e+05   -1.38106e+06   -1.28260e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12805e+02   -2.11025e+02    1.90614e+01    3.91791e-06

           Step           Time
       14450000    28900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70781e+03    1.81810e+04    1.22939e+04    1.05917e+03   -2.83186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53198e+03    1.04167e+05    2.82806e+05   -1.71464e+04   -2.15544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21456e+04   -1.73253e+06    3.48570e+05   -1.38396e+06   -1.28252e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12828e+02   -2.10936e+02    5.54293e+01    3.86690e-06

           Step           Time
       14455000    28910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79436e+03    1.78785e+04    1.23696e+04    1.05668e+03   -2.78044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48969e+03    1.04475e+05    2.79879e+05   -1.71856e+04   -2.15031e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21708e+04   -1.73016e+06    3.50509e+05   -1.37965e+06   -1.28252e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14568e+02   -2.11900e+02    1.67947e+01    3.72705e-06

           Step           Time
       14460000    28920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73909e+03    1.80329e+04    1.23854e+04    1.08738e+03   -2.73412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65265e+03    1.04245e+05    2.79258e+05   -1.71455e+04   -2.14869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21630e+04   -1.72901e+06    3.49527e+05   -1.37948e+06   -1.28249e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13687e+02   -2.10913e+02    2.61623e+01    3.93845e-06

           Step           Time
       14465000    28930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80170e+03    1.85346e+04    1.24723e+04    1.15528e+03   -2.71824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48831e+03    1.03961e+05    2.79692e+05   -1.71303e+04   -2.14824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24024e+04   -1.72758e+06    3.49698e+05   -1.37788e+06   -1.28245e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13840e+02   -2.10542e+02   -3.23565e+01    3.82166e-06

           Step           Time
       14470000    28940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62404e+03    1.80397e+04    1.24584e+04    1.15717e+03   -2.69082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43718e+03    1.04461e+05    2.77886e+05   -1.71322e+04   -2.14825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22980e+04   -1.72971e+06    3.49057e+05   -1.38065e+06   -1.28247e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13265e+02   -2.10588e+02   -1.24122e+02    3.86075e-06

           Step           Time
       14475000    28950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69381e+03    1.77371e+04    1.23153e+04    1.14558e+03   -2.75703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43907e+03    1.04022e+05    2.77217e+05   -1.71225e+04   -2.14611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20653e+04   -1.72936e+06    3.47874e+05   -1.38148e+06   -1.28244e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12203e+02   -2.10350e+02   -1.67046e+02    3.87666e-06

           Step           Time
       14480000    28960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.20781e+03    1.79833e+04    1.25260e+04    1.11197e+03   -2.80547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51037e+03    1.04350e+05    2.78896e+05   -1.71437e+04   -2.14790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20468e+04   -1.72921e+06    3.48250e+05   -1.38096e+06   -1.28242e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12541e+02   -2.10869e+02    1.56715e+01    3.72484e-06

           Step           Time
       14485000    28970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52037e+03    1.85357e+04    1.23886e+04    1.09186e+03   -2.82053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46222e+03    1.04135e+05    2.77518e+05   -1.71520e+04   -2.14789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20524e+04   -1.73016e+06    3.49606e+05   -1.38055e+06   -1.28237e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13757e+02   -2.11073e+02   -5.89057e+01    3.77958e-06

           Step           Time
       14490000    28980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70847e+03    1.85745e+04    1.24460e+04    9.92977e+02   -2.86077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50918e+03    1.04120e+05    2.78572e+05   -1.71302e+04   -2.14724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21588e+04   -1.72815e+06    3.49702e+05   -1.37844e+06   -1.28233e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13844e+02   -2.10539e+02   -1.64994e+01    3.71009e-06

           Step           Time
       14495000    28990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52801e+03    1.82818e+04    1.23175e+04    1.02438e+03   -2.85050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60289e+03    1.04436e+05    2.78307e+05   -1.71778e+04   -2.14943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21429e+04   -1.73082e+06    3.50524e+05   -1.38030e+06   -1.28231e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14582e+02   -2.11709e+02    1.02876e+01    3.85028e-06

           Step           Time
       14500000    29000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69689e+03    1.83015e+04    1.24499e+04    1.05215e+03   -2.80237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39664e+03    1.04277e+05    2.80435e+05   -1.71931e+04   -2.15213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21439e+04   -1.73137e+06    3.50154e+05   -1.38122e+06   -1.28229e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14249e+02   -2.12086e+02   -3.73006e+01    3.81204e-06

           Step           Time
       14505000    29010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37765e+03    1.75811e+04    1.25603e+04    1.10131e+03   -2.87544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69288e+03    1.05034e+05    2.79366e+05   -1.71694e+04   -2.15149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20885e+04   -1.73174e+06    3.47564e+05   -1.38417e+06   -1.28226e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11926e+02   -2.11501e+02    5.45685e+01    3.82791e-06

           Step           Time
       14510000    29020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55852e+03    1.83567e+04    1.25572e+04    1.14993e+03   -2.80868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57101e+03    1.04504e+05    2.79770e+05   -1.72185e+04   -2.15009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19654e+04   -1.72968e+06    3.49037e+05   -1.38065e+06   -1.28225e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13247e+02   -2.12711e+02    7.20761e+01    3.75085e-06

           Step           Time
       14515000    29030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48435e+03    1.84028e+04    1.24181e+04    1.00470e+03   -2.74710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76212e+03    1.04191e+05    2.81140e+05   -1.71805e+04   -2.15118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19777e+04   -1.72973e+06    3.49558e+05   -1.38017e+06   -1.28221e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13714e+02   -2.11776e+02    1.45715e+02    3.86260e-06

           Step           Time
       14520000    29040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48443e+03    1.81723e+04    1.25425e+04    1.00460e+03   -2.85840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39096e+03    1.04424e+05    2.80945e+05   -1.71399e+04   -2.14943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20589e+04   -1.72840e+06    3.49196e+05   -1.37921e+06   -1.28215e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13390e+02   -2.10776e+02    1.29074e+01    3.79003e-06

           Step           Time
       14525000    29050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57252e+03    1.80095e+04    1.23319e+04    1.12905e+03   -2.83307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62974e+03    1.04430e+05    2.79899e+05   -1.71777e+04   -2.15120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21713e+04   -1.73104e+06    3.49455e+05   -1.38159e+06   -1.28214e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13622e+02   -2.11707e+02    4.31113e+01    3.90018e-06

           Step           Time
       14530000    29060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60767e+03    1.84078e+04    1.24971e+04    1.08566e+03   -2.85262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.33452e+03    1.03850e+05    2.80388e+05   -1.71571e+04   -2.15124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19902e+04   -1.73109e+06    3.48819e+05   -1.38227e+06   -1.28209e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13051e+02   -2.11199e+02    1.60928e+01    3.96770e-06

           Step           Time
       14535000    29070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66127e+03    1.85294e+04    1.26097e+04    1.16084e+03   -2.78414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57399e+03    1.04182e+05    2.79515e+05   -1.71854e+04   -2.14857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21854e+04   -1.72812e+06    3.50545e+05   -1.37757e+06   -1.28204e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14600e+02   -2.11895e+02    8.56630e+01    3.97446e-06

           Step           Time
       14540000    29080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39934e+03    1.82275e+04    1.24479e+04    1.00925e+03   -2.76638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51945e+03    1.04202e+05    2.78754e+05   -1.71983e+04   -2.15003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19634e+04   -1.73147e+06    3.49249e+05   -1.38222e+06   -1.28204e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13437e+02   -2.12214e+02    5.11647e+00    3.76631e-06

           Step           Time
       14545000    29090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45555e+03    1.86860e+04    1.23603e+04    1.11973e+03   -2.68934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51288e+03    1.03514e+05    2.79452e+05   -1.72060e+04   -2.14917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20976e+04   -1.72987e+06    3.50162e+05   -1.37971e+06   -1.28195e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14257e+02   -2.12403e+02    8.48230e+01    3.97156e-06

           Step           Time
       14550000    29100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32186e+03    1.83568e+04    1.26051e+04    1.15166e+03   -2.98154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52579e+03    1.04351e+05    2.79333e+05   -1.71526e+04   -2.14879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20684e+04   -1.72921e+06    3.49848e+05   -1.37936e+06   -1.28193e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13975e+02   -2.11087e+02    1.75713e+01    3.77795e-06

           Step           Time
       14555000    29110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43087e+03    1.84129e+04    1.23825e+04    1.11815e+03   -2.86536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38914e+03    1.04070e+05    2.78265e+05   -1.71425e+04   -2.14907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22771e+04   -1.73074e+06    3.49149e+05   -1.38159e+06   -1.28193e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13348e+02   -2.10839e+02   -8.62950e+01    3.99437e-06

           Step           Time
       14560000    29120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47731e+03    1.85138e+04    1.25819e+04    1.08703e+03   -2.86082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54548e+03    1.04190e+05    2.80907e+05   -1.71763e+04   -2.15136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23982e+04   -1.72970e+06    3.47512e+05   -1.38218e+06   -1.28189e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11879e+02   -2.11671e+02    6.06707e+01    3.79597e-06

           Step           Time
       14565000    29130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39411e+03    1.84606e+04    1.23479e+04    1.12176e+03   -2.88308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61379e+03    1.03802e+05    2.76880e+05   -1.71431e+04   -2.14432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22165e+04   -1.72751e+06    3.49595e+05   -1.37792e+06   -1.28186e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13748e+02   -2.10856e+02   -2.24929e+01    3.87192e-06

           Step           Time
       14570000    29140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66798e+03    1.80955e+04    1.22848e+04    1.03836e+03   -2.73338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50987e+03    1.04050e+05    2.78554e+05   -1.71217e+04   -2.14800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20790e+04   -1.72957e+06    3.48309e+05   -1.38126e+06   -1.28181e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12594e+02   -2.10329e+02   -9.12423e+01    3.79847e-06

           Step           Time
       14575000    29150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51302e+03    1.83865e+04    1.25156e+04    1.04499e+03   -2.84516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58621e+03    1.03803e+05    2.81140e+05   -1.71800e+04   -2.15073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20470e+04   -1.72972e+06    3.49569e+05   -1.38015e+06   -1.28180e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13725e+02   -2.11762e+02    1.12298e+02    3.85306e-06

           Step           Time
       14580000    29160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72978e+03    1.87657e+04    1.24061e+04    1.07363e+03   -2.86414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.37419e+03    1.03584e+05    2.79112e+05   -1.71932e+04   -2.14791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21068e+04   -1.72881e+06    3.48786e+05   -1.38002e+06   -1.28171e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13022e+02   -2.12089e+02    6.24177e+00    3.78079e-06

           Step           Time
       14585000    29170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44547e+03    1.82278e+04    1.25702e+04    1.11890e+03   -2.73537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42845e+03    1.03965e+05    2.79851e+05   -1.71708e+04   -2.15000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22272e+04   -1.73008e+06    3.49143e+05   -1.38093e+06   -1.28176e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13342e+02   -2.11536e+02    3.22763e+01    4.01324e-06

           Step           Time
       14590000    29180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44240e+03    1.80934e+04    1.26704e+04    1.06004e+03   -2.83269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56777e+03    1.03787e+05    2.79452e+05   -1.71825e+04   -2.15034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21091e+04   -1.73117e+06    3.49915e+05   -1.38126e+06   -1.28171e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14035e+02   -2.11823e+02    4.92127e+01    3.94098e-06

           Step           Time
       14595000    29190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30680e+03    1.80454e+04    1.22088e+04    1.07018e+03   -2.76574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44395e+03    1.04087e+05    2.81134e+05   -1.72075e+04   -2.15628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18914e+04   -1.73606e+06    3.46527e+05   -1.38953e+06   -1.28166e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10994e+02   -2.12441e+02    2.10899e+01    3.77525e-06

           Step           Time
       14600000    29200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50631e+03    1.79458e+04    1.23795e+04    1.10923e+03   -2.92779e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56720e+03    1.03852e+05    2.81400e+05   -1.71619e+04   -2.15345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22719e+04   -1.73251e+06    3.47167e+05   -1.38534e+06   -1.28159e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11569e+02   -2.11318e+02    1.19094e+02    3.87070e-06

           Step           Time
       14605000    29210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52434e+03    1.84615e+04    1.22576e+04    1.07222e+03   -2.89208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48895e+03    1.03759e+05    2.79901e+05   -1.71637e+04   -2.15000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20838e+04   -1.73051e+06    3.48686e+05   -1.38182e+06   -1.28158e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12932e+02   -2.11361e+02    5.77374e+00    3.79944e-06

           Step           Time
       14610000    29220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52863e+03    1.86037e+04    1.24673e+04    1.02160e+03   -2.90396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44214e+03    1.03745e+05    2.81003e+05   -1.71720e+04   -2.15118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21395e+04   -1.73031e+06    3.47761e+05   -1.38255e+06   -1.28155e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12102e+02   -2.11565e+02    9.75442e+01    3.76423e-06

           Step           Time
       14615000    29230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78702e+03    1.78528e+04    1.23592e+04    1.12906e+03   -2.83422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57935e+03    1.03777e+05    2.76186e+05   -1.71941e+04   -2.14478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20006e+04   -1.72914e+06    3.47340e+05   -1.38180e+06   -1.28150e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11724e+02   -2.12110e+02   -5.69126e+01    3.83193e-06

           Step           Time
       14620000    29240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62748e+03    1.83832e+04    1.24256e+04    1.03410e+03   -2.86088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40772e+03    1.03834e+05    2.78776e+05   -1.71487e+04   -2.14733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20344e+04   -1.72882e+06    3.49948e+05   -1.37887e+06   -1.28152e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14064e+02   -2.10992e+02   -6.43222e+01    3.77823e-06

           Step           Time
       14625000    29250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44795e+03    1.85522e+04    1.25924e+04    1.12454e+03   -2.93343e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49818e+03    1.03932e+05    2.79513e+05   -1.71577e+04   -2.14887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20450e+04   -1.72926e+06    3.48992e+05   -1.38027e+06   -1.28145e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13207e+02   -2.11215e+02    2.44007e+00    3.82779e-06

           Step           Time
       14630000    29260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51960e+03    1.82979e+04    1.24934e+04    1.04614e+03   -2.73597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42811e+03    1.04182e+05    2.80159e+05   -1.71657e+04   -2.15019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21140e+04   -1.72985e+06    3.49667e+05   -1.38019e+06   -1.28147e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13813e+02   -2.11411e+02    6.21919e+01    3.98991e-06

Writing checkpoint, step 14632600 at Thu Dec  7 09:58:04 2023


           Step           Time
       14635000    29270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44956e+03    1.84960e+04    1.23420e+04    1.05188e+03   -2.88090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41382e+03    1.04204e+05    2.78302e+05   -1.71407e+04   -2.14810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21626e+04   -1.72970e+06    3.48758e+05   -1.38094e+06   -1.28139e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12997e+02   -2.10796e+02   -7.54498e+01    3.91602e-06

Writing checkpoint, step 14638600 at Thu Dec  7 10:13:00 2023


           Step           Time
       14640000    29280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60198e+03    1.80314e+04    1.24282e+04    1.11604e+03   -2.89192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45776e+03    1.04190e+05    2.75057e+05   -1.71294e+04   -2.14440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21225e+04   -1.72941e+06    3.48089e+05   -1.38133e+06   -1.28137e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12396e+02   -2.10518e+02   -2.28058e+02    3.75172e-06

           Step           Time
       14645000    29290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46547e+03    1.83658e+04    1.24466e+04    1.09784e+03   -2.75255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52760e+03    1.04326e+05    2.80075e+05   -1.71889e+04   -2.15070e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20877e+04   -1.73025e+06    3.50445e+05   -1.37981e+06   -1.28134e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14511e+02   -2.11981e+02    5.39735e+01    3.86846e-06

           Step           Time
       14650000    29300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60413e+03    1.86482e+04    1.24312e+04    1.10574e+03   -2.76734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54339e+03    1.03937e+05    2.79234e+05   -1.71565e+04   -2.14911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20339e+04   -1.72950e+06    3.48249e+05   -1.38125e+06   -1.28127e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12540e+02   -2.11184e+02   -1.38834e+01    3.91342e-06

Writing checkpoint, step 14651400 at Thu Dec  7 10:27:57 2023


           Step           Time
       14655000    29310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59664e+03    1.79819e+04    1.24201e+04    1.05643e+03   -2.81069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49658e+03    1.04112e+05    2.76597e+05   -1.71592e+04   -2.14438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21277e+04   -1.72796e+06    3.47495e+05   -1.38047e+06   -1.28125e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11863e+02   -2.11251e+02   -5.54510e+01    3.98094e-06

           Step           Time
       14660000    29320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70850e+03    1.81968e+04    1.23319e+04    1.16036e+03   -2.86130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59113e+03    1.03992e+05    2.82608e+05   -1.72123e+04   -2.15393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19087e+04   -1.73150e+06    3.50896e+05   -1.38061e+06   -1.28124e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14916e+02   -2.12558e+02    1.98319e+02    3.81192e-06

Writing checkpoint, step 14662200 at Thu Dec  7 10:43:17 2023


           Step           Time
       14665000    29330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46274e+03    1.84140e+04    1.26331e+04    1.14697e+03   -2.85937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46064e+03    1.03822e+05    2.75947e+05   -1.71529e+04   -2.14524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22422e+04   -1.72912e+06    3.48633e+05   -1.38049e+06   -1.28124e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12884e+02   -2.11095e+02   -8.05253e+01    3.86555e-06

Writing checkpoint, step 14666500 at Thu Dec  7 10:58:03 2023


           Step           Time
       14670000    29340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60171e+03    1.85717e+04    1.24648e+04    1.08914e+03   -2.85348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46435e+03    1.03841e+05    2.78504e+05   -1.71696e+04   -2.14601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21714e+04   -1.72733e+06    3.49471e+05   -1.37786e+06   -1.28120e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13637e+02   -2.11507e+02    2.67991e+01    3.90805e-06

           Step           Time
       14675000    29350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41387e+03    1.84708e+04    1.24092e+04    1.03881e+03   -2.85337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39187e+03    1.04176e+05    2.78491e+05   -1.71884e+04   -2.14961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21231e+04   -1.73113e+06    3.48281e+05   -1.38285e+06   -1.28118e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12569e+02   -2.11970e+02   -5.37919e+01    3.87985e-06

           Step           Time
       14680000    29360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35716e+03    1.81948e+04    1.23701e+04    1.13864e+03   -2.76696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65787e+03    1.04041e+05    2.79475e+05   -1.72085e+04   -2.15074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19613e+04   -1.73152e+06    3.49189e+05   -1.38233e+06   -1.28112e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13383e+02   -2.12465e+02    1.08048e+02    3.91350e-06

           Step           Time
       14685000    29370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68200e+03    1.80948e+04    1.23958e+04    1.06851e+03   -2.74268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47074e+03    1.04137e+05    2.80615e+05   -1.71439e+04   -2.14848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20310e+04   -1.72787e+06    3.49954e+05   -1.37792e+06   -1.28114e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14070e+02   -2.10874e+02    8.33239e+00    3.92577e-06

           Step           Time
       14690000    29380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52295e+03    1.82198e+04    1.24322e+04    1.12440e+03   -2.75411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45783e+03    1.03941e+05    2.76623e+05   -1.71561e+04   -2.14383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20985e+04   -1.72732e+06    3.50017e+05   -1.37731e+06   -1.28111e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14127e+02   -2.11173e+02   -9.96153e+01    4.13769e-06

           Step           Time
       14695000    29390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72146e+03    1.83312e+04    1.25110e+04    1.15403e+03   -2.80073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55427e+03    1.03886e+05    2.77993e+05   -1.71438e+04   -2.14642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20407e+04   -1.72817e+06    3.47323e+05   -1.38084e+06   -1.28102e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11709e+02   -2.10871e+02    1.83862e+01    3.98223e-06

           Step           Time
       14700000    29400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47397e+03    1.79372e+04    1.25152e+04    1.09282e+03   -2.74962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50782e+03    1.04420e+05    2.78906e+05   -1.71349e+04   -2.14915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19948e+04   -1.73019e+06    3.48135e+05   -1.38205e+06   -1.28102e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12438e+02   -2.10654e+02   -6.78952e+01    3.88086e-06

           Step           Time
       14705000    29410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71726e+03    1.82538e+04    1.25456e+04    1.14623e+03   -2.79615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50641e+03    1.03965e+05    2.79710e+05   -1.71924e+04   -2.15143e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21956e+04   -1.73138e+06    3.49095e+05   -1.38229e+06   -1.28097e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13299e+02   -2.12067e+02   -2.28972e+01    3.86203e-06

           Step           Time
       14710000    29420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34493e+03    1.83311e+04    1.23798e+04    1.07083e+03   -2.83342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45525e+03    1.04232e+05    2.77184e+05   -1.71819e+04   -2.14819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21156e+04   -1.73109e+06    3.47976e+05   -1.38312e+06   -1.28094e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12295e+02   -2.11810e+02   -1.02166e+02    3.92545e-06

           Step           Time
       14715000    29430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58504e+03    1.81460e+04    1.26305e+04    1.12459e+03   -2.81067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58866e+03    1.04080e+05    2.76000e+05   -1.71418e+04   -2.14446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21025e+04   -1.72815e+06    3.48520e+05   -1.37963e+06   -1.28092e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12783e+02   -2.10823e+02   -1.11604e+02    3.94928e-06

           Step           Time
       14720000    29440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71630e+03    1.82972e+04    1.22821e+04    1.09661e+03   -2.78481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51469e+03    1.04325e+05    2.79278e+05   -1.71887e+04   -2.14917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21699e+04   -1.72946e+06    3.48284e+05   -1.38118e+06   -1.28085e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12571e+02   -2.11978e+02   -9.16088e+00    3.80166e-06

           Step           Time
       14725000    29450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38067e+03    1.81953e+04    1.23070e+04    1.17479e+03   -2.82953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61572e+03    1.04601e+05    2.77553e+05   -1.71481e+04   -2.14879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20424e+04   -1.73089e+06    3.51200e+05   -1.37969e+06   -1.28088e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15188e+02   -2.10977e+02   -5.99268e+01    3.84329e-06

           Step           Time
       14730000    29460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39829e+03    1.81741e+04    1.23037e+04    1.04829e+03   -2.74408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55662e+03    1.04255e+05    2.79991e+05   -1.71283e+04   -2.14969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20766e+04   -1.72976e+06    3.48168e+05   -1.38159e+06   -1.28080e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12468e+02   -2.10493e+02   -9.50125e+00    3.69355e-06

           Step           Time
       14735000    29470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47098e+03    1.84225e+04    1.23288e+04    1.07545e+03   -2.90041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42206e+03    1.04325e+05    2.77270e+05   -1.71166e+04   -2.14687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21190e+04   -1.72945e+06    3.48754e+05   -1.38070e+06   -1.28078e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12993e+02   -2.10203e+02   -1.30763e+02    3.89990e-06

           Step           Time
       14740000    29480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38022e+03    1.84751e+04    1.24037e+04    1.07767e+03   -2.75680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52184e+03    1.04219e+05    2.77402e+05   -1.71953e+04   -2.14645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20901e+04   -1.72883e+06    3.48828e+05   -1.38000e+06   -1.28077e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13060e+02   -2.12140e+02   -5.76729e+00    3.91626e-06

           Step           Time
       14745000    29490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73329e+03    1.84457e+04    1.23260e+04    1.14420e+03   -2.71378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50397e+03    1.04539e+05    2.79962e+05   -1.71916e+04   -2.15044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19884e+04   -1.72971e+06    3.50825e+05   -1.37888e+06   -1.28068e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14852e+02   -2.12047e+02   -5.03682e+00    3.83395e-06

           Step           Time
       14750000    29500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48412e+03    1.80887e+04    1.22806e+04    1.02055e+03   -2.66522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60025e+03    1.04463e+05    2.77853e+05   -1.71608e+04   -2.14770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20718e+04   -1.72967e+06    3.47214e+05   -1.38245e+06   -1.28066e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11611e+02   -2.11290e+02   -6.19461e+01    3.88674e-06

           Step           Time
       14755000    29510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60655e+03    1.84071e+04    1.23804e+04    1.13585e+03   -2.73375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44211e+03    1.04190e+05    2.79510e+05   -1.71360e+04   -2.14974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22850e+04   -1.72965e+06    3.46370e+05   -1.38328e+06   -1.28057e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10854e+02   -2.10681e+02   -3.59924e+01    3.80985e-06

Writing checkpoint, step 14758500 at Thu Dec  7 11:12:58 2023


           Step           Time
       14760000    29520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62555e+03    1.86076e+04    1.23647e+04    1.12702e+03   -2.80855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45128e+03    1.04004e+05    2.78761e+05   -1.71531e+04   -2.14967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21383e+04   -1.73055e+06    3.50902e+05   -1.37965e+06   -1.28061e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14921e+02   -2.11101e+02   -5.61091e+01    3.98589e-06

           Step           Time
       14765000    29530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60366e+03    1.80464e+04    1.24030e+04    1.06477e+03   -2.70009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40530e+03    1.04517e+05    2.79551e+05   -1.71396e+04   -2.15027e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21505e+04   -1.73037e+06    3.48344e+05   -1.38202e+06   -1.28058e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12625e+02   -2.10769e+02   -8.33075e+01    3.71089e-06

           Step           Time
       14770000    29540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73329e+03    1.87072e+04    1.23839e+04    1.08577e+03   -2.85485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50680e+03    1.04051e+05    2.77371e+05   -1.71700e+04   -2.14851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20189e+04   -1.73068e+06    3.49324e+05   -1.38135e+06   -1.28052e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13505e+02   -2.11516e+02   -3.79693e+01    4.28603e-06

           Step           Time
       14775000    29550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65027e+03    1.84538e+04    1.23641e+04    1.13445e+03   -2.76236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53725e+03    1.04261e+05    2.80640e+05   -1.71449e+04   -2.14895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19400e+04   -1.72787e+06    3.50542e+05   -1.37733e+06   -1.28048e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14598e+02   -2.10898e+02    5.51140e+01    3.89998e-06

           Step           Time
       14780000    29560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48247e+03    1.82992e+04    1.23961e+04    1.00904e+03   -2.76600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52286e+03    1.04395e+05    2.80708e+05   -1.71587e+04   -2.15270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21117e+04   -1.73170e+06    3.48302e+05   -1.38340e+06   -1.28046e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12588e+02   -2.11239e+02    4.65784e+01    3.91122e-06

           Step           Time
       14785000    29570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66512e+03    1.81073e+04    1.23800e+04    1.02766e+03   -2.75048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51126e+03    1.04877e+05    2.78421e+05   -1.71155e+04   -2.14825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21747e+04   -1.72895e+06    3.47605e+05   -1.38135e+06   -1.28041e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11962e+02   -2.10178e+02   -8.57065e+01    3.96389e-06

           Step           Time
       14790000    29580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70474e+03    1.84372e+04    1.25046e+04    1.14490e+03   -2.84398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48506e+03    1.04109e+05    2.79023e+05   -1.71250e+04   -2.14596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23525e+04   -1.72616e+06    3.49692e+05   -1.37647e+06   -1.28041e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13835e+02   -2.10410e+02   -2.49144e+01    3.80233e-06

           Step           Time
       14795000    29590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92486e+03    1.83065e+04    1.22657e+04    1.06733e+03   -2.88624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47215e+03    1.04182e+05    2.80658e+05   -1.71652e+04   -2.15066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21592e+04   -1.72968e+06    3.50340e+05   -1.37934e+06   -1.28037e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14417e+02   -2.11398e+02    2.28507e+01    3.89827e-06

           Step           Time
       14800000    29600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66434e+03    1.80440e+04    1.23547e+04    1.07055e+03   -2.71488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45555e+03    1.04140e+05    2.78286e+05   -1.71577e+04   -2.14681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19316e+04   -1.72874e+06    3.48592e+05   -1.38014e+06   -1.28037e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12848e+02   -2.11215e+02   -5.71495e+01    3.78315e-06

           Step           Time
       14805000    29610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63408e+03    1.81890e+04    1.24457e+04    1.01195e+03   -2.80010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42549e+03    1.04161e+05    2.78445e+05   -1.71206e+04   -2.14660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21976e+04   -1.72801e+06    3.47798e+05   -1.38022e+06   -1.28029e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12135e+02   -2.10303e+02   -7.43340e+01    3.83137e-06

           Step           Time
       14810000    29620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44547e+03    1.84950e+04    1.22647e+04    1.16524e+03   -2.77436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55057e+03    1.03915e+05    2.79886e+05   -1.71743e+04   -2.15137e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20272e+04   -1.73157e+06    3.48518e+05   -1.38305e+06   -1.28024e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12781e+02   -2.11622e+02   -1.32756e+01    3.70085e-06

           Step           Time
       14815000    29630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55968e+03    1.82073e+04    1.22750e+04    1.09547e+03   -2.78859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46227e+03    1.04562e+05    2.80359e+05   -1.71745e+04   -2.14988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21211e+04   -1.72920e+06    3.50731e+05   -1.37846e+06   -1.28024e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14768e+02   -2.11627e+02    7.15729e+01    3.78051e-06

           Step           Time
       14820000    29640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40198e+03    1.87965e+04    1.25206e+04    1.11648e+03   -2.76451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40378e+03    1.03881e+05    2.78596e+05   -1.71707e+04   -2.14908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19959e+04   -1.73030e+06    3.48729e+05   -1.38158e+06   -1.28018e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12971e+02   -2.11535e+02    6.76014e+00    3.92849e-06

           Step           Time
       14825000    29650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64761e+03    1.81675e+04    1.25188e+04    1.09436e+03   -2.75099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57760e+03    1.04032e+05    2.78715e+05   -1.71141e+04   -2.14557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21383e+04   -1.72654e+06    3.47085e+05   -1.37946e+06   -1.28012e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11495e+02   -2.10144e+02   -3.45359e+01    3.76555e-06

           Step           Time
       14830000    29660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63830e+03    1.81263e+04    1.23354e+04    9.90485e+02   -2.74259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38076e+03    1.04053e+05    2.80069e+05   -1.71195e+04   -2.14921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22306e+04   -1.72925e+06    3.48351e+05   -1.38090e+06   -1.28009e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12631e+02   -2.10276e+02   -6.91802e+00    3.99438e-06

           Step           Time
       14835000    29670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54948e+03    1.84269e+04    1.24055e+04    1.10053e+03   -2.71854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61471e+03    1.03935e+05    2.79581e+05   -1.71591e+04   -2.14962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22476e+04   -1.72964e+06    3.47977e+05   -1.38166e+06   -1.28001e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12296e+02   -2.11248e+02    8.02258e+01    3.75903e-06

           Step           Time
       14840000    29680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51882e+03    1.81469e+04    1.23846e+04    1.08472e+03   -2.77669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54584e+03    1.04464e+05    2.79418e+05   -1.71509e+04   -2.14791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21027e+04   -1.72817e+06    3.49192e+05   -1.37898e+06   -1.28001e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13386e+02   -2.11047e+02    5.86655e+01    3.86076e-06

           Step           Time
       14845000    29690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52333e+03    1.80219e+04    1.24743e+04    1.09480e+03   -2.88663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40817e+03    1.04724e+05    2.79233e+05   -1.71654e+04   -2.15017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21528e+04   -1.73059e+06    3.48195e+05   -1.38239e+06   -1.27996e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12491e+02   -2.11404e+02   -2.69609e+01    3.85975e-06

           Step           Time
       14850000    29700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41304e+03    1.80040e+04    1.23945e+04    1.12642e+03   -2.73341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63721e+03    1.04384e+05    2.78503e+05   -1.71659e+04   -2.14822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20890e+04   -1.72957e+06    3.49395e+05   -1.38018e+06   -1.27997e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13568e+02   -2.11416e+02   -1.51360e+00    3.81020e-06

           Step           Time
       14855000    29710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77906e+03    1.78303e+04    1.24278e+04    1.04514e+03   -2.79699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48363e+03    1.04213e+05    2.82334e+05   -1.71962e+04   -2.15610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20322e+04   -1.73395e+06    3.48250e+05   -1.38570e+06   -1.27993e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12541e+02   -2.12161e+02    1.00492e+02    3.81701e-06

           Step           Time
       14860000    29720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61229e+03    1.82312e+04    1.25147e+04    1.02337e+03   -2.65755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43394e+03    1.04044e+05    2.81518e+05   -1.71807e+04   -2.15144e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21046e+04   -1.72980e+06    3.49629e+05   -1.38017e+06   -1.27989e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13779e+02   -2.11781e+02    1.22091e+02    3.73150e-06

           Step           Time
       14865000    29730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35025e+03    1.81429e+04    1.24257e+04    1.03643e+03   -2.82031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57142e+03    1.04499e+05    2.79693e+05   -1.71772e+04   -2.15062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22728e+04   -1.73063e+06    3.48700e+05   -1.38193e+06   -1.27987e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12945e+02   -2.11693e+02   -7.87357e+00    3.75130e-06

           Step           Time
       14870000    29740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44974e+03    1.79405e+04    1.26268e+04    1.15334e+03   -2.83376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59508e+03    1.04609e+05    2.79663e+05   -1.71239e+04   -2.15045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20915e+04   -1.73028e+06    3.48914e+05   -1.38137e+06   -1.27984e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13136e+02   -2.10383e+02    1.26223e-01    3.78813e-06

           Step           Time
       14875000    29750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63806e+03    1.82807e+04    1.25211e+04    1.01855e+03   -2.90320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46040e+03    1.04401e+05    2.80157e+05   -1.71736e+04   -2.14914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19795e+04   -1.72876e+06    3.49509e+05   -1.37925e+06   -1.27981e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13671e+02   -2.11604e+02    3.61851e+01    3.68938e-06

           Step           Time
       14880000    29760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27301e+03    1.84005e+04    1.24951e+04    1.05327e+03   -2.79834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57597e+03    1.04583e+05    2.78360e+05   -1.71211e+04   -2.14745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19988e+04   -1.72863e+06    3.47350e+05   -1.38128e+06   -1.27978e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11733e+02   -2.10316e+02   -2.10812e+01    3.83018e-06

           Step           Time
       14885000    29770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53049e+03    1.79468e+04    1.24200e+04    1.06603e+03   -2.79520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57269e+03    1.04609e+05    2.78162e+05   -1.71519e+04   -2.14774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21516e+04   -1.72923e+06    3.49430e+05   -1.37980e+06   -1.27979e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13600e+02   -2.11070e+02   -7.69841e+01    3.75625e-06

           Step           Time
       14890000    29780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56653e+03    1.82277e+04    1.24427e+04    1.06785e+03   -2.79228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48758e+03    1.04655e+05    2.78860e+05   -1.71703e+04   -2.14957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20854e+04   -1.73014e+06    3.46759e+05   -1.38338e+06   -1.27972e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11203e+02   -2.11525e+02   -5.27742e+01    3.80971e-06

           Step           Time
       14895000    29790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42737e+03    1.81726e+04    1.25862e+04    1.13788e+03   -2.83151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51705e+03    1.04515e+05    2.79010e+05   -1.71572e+04   -2.14905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21289e+04   -1.72954e+06    3.48012e+05   -1.38153e+06   -1.27971e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12328e+02   -2.11202e+02   -2.94866e+01    4.06035e-06

           Step           Time
       14900000    29800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68608e+03    1.82383e+04    1.24216e+04    1.15513e+03   -2.83532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48258e+03    1.04410e+05    2.77902e+05   -1.71484e+04   -2.14896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20916e+04   -1.73056e+06    3.47726e+05   -1.38284e+06   -1.27966e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12071e+02   -2.10984e+02   -1.39750e+02    3.86885e-06

           Step           Time
       14905000    29810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59883e+03    1.80207e+04    1.23522e+04    1.11678e+03   -2.81159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46382e+03    1.04337e+05    2.76925e+05   -1.71777e+04   -2.14747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20863e+04   -1.73056e+06    3.48361e+05   -1.38220e+06   -1.27966e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12641e+02   -2.11706e+02   -1.64506e+02    3.77718e-06

           Step           Time
       14910000    29820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49780e+03    1.83483e+04    1.25927e+04    1.18241e+03   -2.92302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.35220e+03    1.04504e+05    2.80382e+05   -1.71789e+04   -2.14997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20938e+04   -1.72912e+06    3.48351e+05   -1.38077e+06   -1.27960e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12632e+02   -2.11736e+02    5.87583e+01    4.10311e-06

           Step           Time
       14915000    29830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.24315e+03    1.83021e+04    1.23235e+04    1.12715e+03   -2.86315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44165e+03    1.04518e+05    2.78515e+05   -1.72017e+04   -2.14861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21644e+04   -1.73004e+06    3.48948e+05   -1.38109e+06   -1.27959e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13167e+02   -2.12297e+02    7.65116e+00    3.83948e-06

           Step           Time
       14920000    29840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69684e+03    1.85306e+04    1.24159e+04    1.05306e+03   -2.85619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40445e+03    1.04306e+05    2.78632e+05   -1.71761e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21250e+04   -1.73006e+06    3.49724e+05   -1.38034e+06   -1.27957e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13863e+02   -2.11666e+02   -4.21045e+01    3.70374e-06

           Step           Time
       14925000    29850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37052e+03    1.84548e+04    1.26876e+04    1.04606e+03   -2.86200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69234e+03    1.03909e+05    2.77417e+05   -1.71174e+04   -2.14623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20371e+04   -1.72860e+06    3.48269e+05   -1.38033e+06   -1.27952e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12558e+02   -2.10223e+02    3.22949e+01    4.01294e-06

           Step           Time
       14930000    29860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51910e+03    1.83566e+04    1.23809e+04    1.05589e+03   -2.84027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56299e+03    1.04172e+05    2.80284e+05   -1.71566e+04   -2.14980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20830e+04   -1.72938e+06    3.48888e+05   -1.38049e+06   -1.27946e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13114e+02   -2.11188e+02    7.40935e+01    3.87273e-06

           Step           Time
       14935000    29870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45725e+03    1.79059e+04    1.21560e+04    1.10089e+03   -2.75622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48897e+03    1.04246e+05    2.80231e+05   -1.71967e+04   -2.15328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21117e+04   -1.73353e+06    3.49455e+05   -1.38408e+06   -1.27946e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13622e+02   -2.12174e+02    5.14121e+01    3.80204e-06

           Step           Time
       14940000    29880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51872e+03    1.81900e+04    1.23414e+04    1.18081e+03   -2.75843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61427e+03    1.03984e+05    2.78364e+05   -1.71789e+04   -2.14692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20927e+04   -1.72857e+06    3.48820e+05   -1.37975e+06   -1.27943e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13053e+02   -2.11734e+02    2.26156e+00    3.98184e-06

           Step           Time
       14945000    29890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71225e+03    1.83132e+04    1.23791e+04    1.07011e+03   -2.75485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59814e+03    1.04019e+05    2.78013e+05   -1.71605e+04   -2.14745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21831e+04   -1.72907e+06    3.48646e+05   -1.38043e+06   -1.27937e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12897e+02   -2.11282e+02   -4.82995e+00    3.83088e-06

           Step           Time
       14950000    29900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34535e+03    1.81257e+04    1.23464e+04    1.16393e+03   -2.79377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47873e+03    1.04483e+05    2.79959e+05   -1.71350e+04   -2.14958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20038e+04   -1.72960e+06    3.48707e+05   -1.38089e+06   -1.27939e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12951e+02   -2.10655e+02    1.92261e+01    3.81382e-06

           Step           Time
       14955000    29910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48445e+03    1.82074e+04    1.23031e+04    1.04386e+03   -2.76648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58327e+03    1.03918e+05    2.80023e+05   -1.71448e+04   -2.14851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22055e+04   -1.72866e+06    3.48379e+05   -1.38028e+06   -1.27927e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12657e+02   -2.10897e+02   -2.68338e+00    3.81087e-06

           Step           Time
       14960000    29920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39711e+03    1.82483e+04    1.23698e+04    1.05721e+03   -2.77414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47137e+03    1.04464e+05    2.79883e+05   -1.71921e+04   -2.15177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20912e+04   -1.73176e+06    3.49418e+05   -1.38234e+06   -1.27926e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13589e+02   -2.12060e+02    7.68264e+01    3.82440e-06

           Step           Time
       14965000    29930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40946e+03    1.81689e+04    1.23577e+04    1.09512e+03   -2.86554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52805e+03    1.04064e+05    2.78654e+05   -1.71589e+04   -2.14842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19337e+04   -1.73023e+06    3.46265e+05   -1.38396e+06   -1.27921e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10759e+02   -2.11243e+02   -2.10707e+01    3.70630e-06

           Step           Time
       14970000    29940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52903e+03    1.76736e+04    1.21757e+04    1.11671e+03   -2.75184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49669e+03    1.04555e+05    2.79119e+05   -1.71591e+04   -2.15113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22643e+04   -1.73211e+06    3.48769e+05   -1.38334e+06   -1.27920e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13006e+02   -2.11249e+02   -5.51006e+01    3.81286e-06

           Step           Time
       14975000    29950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55013e+03    1.77370e+04    1.24425e+04    1.14783e+03   -2.69652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56563e+03    1.04540e+05    2.76581e+05   -1.71781e+04   -2.14696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18878e+04   -1.73039e+06    3.47342e+05   -1.38305e+06   -1.27916e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11726e+02   -2.11715e+02   -1.17250e+02    3.86823e-06

           Step           Time
       14980000    29960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57429e+03    1.85951e+04    1.23674e+04    1.15635e+03   -2.75054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43793e+03    1.03858e+05    2.82178e+05   -1.71814e+04   -2.15346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21367e+04   -1.73109e+06    3.48148e+05   -1.38294e+06   -1.27914e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12449e+02   -2.11796e+02    5.13890e+01    3.90559e-06

           Step           Time
       14985000    29970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63169e+03    1.83894e+04    1.23374e+04    1.04492e+03   -2.84379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43427e+03    1.04334e+05    2.81056e+05   -1.71836e+04   -2.15064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19215e+04   -1.72952e+06    3.49314e+05   -1.38021e+06   -1.27910e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13496e+02   -2.11850e+02    7.09863e+01    3.86157e-06

           Step           Time
       14990000    29980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36385e+03    1.83358e+04    1.23926e+04    1.00726e+03   -2.78370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54208e+03    1.04324e+05    2.76080e+05   -1.71897e+04   -2.14645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21058e+04   -1.73027e+06    3.48801e+05   -1.38147e+06   -1.27906e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13035e+02   -2.12002e+02   -4.11743e+01    3.71840e-06

           Step           Time
       14995000    29990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.18669e+03    1.78378e+04    1.24554e+04    1.04637e+03   -2.67977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48254e+03    1.04587e+05    2.80728e+05   -1.71506e+04   -2.15190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21933e+04   -1.73121e+06    3.48126e+05   -1.38309e+06   -1.27907e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12430e+02   -2.11039e+02    8.76364e+01    3.74578e-06

           Step           Time
       15000000    30000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59749e+03    1.83654e+04    1.23152e+04    1.00890e+03   -2.69157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54330e+03    1.03923e+05    2.78726e+05   -1.71912e+04   -2.15005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20986e+04   -1.73135e+06    3.48938e+05   -1.38241e+06   -1.27898e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13158e+02   -2.12038e+02   -1.92058e+01    3.83214e-06

           Step           Time
       15005000    30010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57202e+03    1.86643e+04    1.24426e+04    1.10208e+03   -2.75657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49785e+03    1.03820e+05    2.79766e+05   -1.71814e+04   -2.14902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20062e+04   -1.72909e+06    3.49824e+05   -1.37927e+06   -1.27896e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13954e+02   -2.11798e+02    5.46266e+01    3.64796e-06

           Step           Time
       15010000    30020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65950e+03    1.83005e+04    1.24016e+04    1.10606e+03   -2.79562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56539e+03    1.03911e+05    2.80817e+05   -1.71872e+04   -2.15097e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21681e+04   -1.73003e+06    3.48882e+05   -1.38114e+06   -1.27891e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13108e+02   -2.11941e+02    1.11053e+02    3.86641e-06

           Step           Time
       15015000    30030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55861e+03    1.81703e+04    1.24326e+04    1.14715e+03   -2.82843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54987e+03    1.04034e+05    2.78138e+05   -1.71198e+04   -2.14670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21595e+04   -1.72846e+06    3.48608e+05   -1.37985e+06   -1.27889e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12862e+02   -2.10284e+02    6.14114e+01    3.79698e-06

           Step           Time
       15020000    30040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58398e+03    1.79476e+04    1.26614e+04    1.08604e+03   -2.80178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56771e+03    1.04316e+05    2.80155e+05   -1.71098e+04   -2.14964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22695e+04   -1.72896e+06    3.48567e+05   -1.38039e+06   -1.27884e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12825e+02   -2.10037e+02   -1.04664e+01    3.88298e-06

           Step           Time
       15025000    30050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71196e+03    1.79193e+04    1.24095e+04    1.16779e+03   -2.81135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51143e+03    1.03768e+05    2.80898e+05   -1.71543e+04   -2.15150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20567e+04   -1.73102e+06    3.47753e+05   -1.38327e+06   -1.27882e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12095e+02   -2.11131e+02    5.39460e+01    3.69979e-06

           Step           Time
       15030000    30060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33826e+03    1.81245e+04    1.23906e+04    1.04850e+03   -2.78407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.32759e+03    1.04315e+05    2.81308e+05   -1.72209e+04   -2.15325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21862e+04   -1.73222e+06    3.46987e+05   -1.38523e+06   -1.27875e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11408e+02   -2.12771e+02    7.67199e+01    4.05830e-06

           Step           Time
       15035000    30070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53416e+03    1.82491e+04    1.24344e+04    1.14168e+03   -2.78901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43519e+03    1.04516e+05    2.79269e+05   -1.72097e+04   -2.14956e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21627e+04   -1.72982e+06    3.48151e+05   -1.38167e+06   -1.27869e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12452e+02   -2.12493e+02    1.54406e+01    3.84693e-06

           Step           Time
       15040000    30080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56477e+03    1.84213e+04    1.24213e+04    1.09118e+03   -2.77427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58795e+03    1.04316e+05    2.78997e+05   -1.71948e+04   -2.14954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21455e+04   -1.72997e+06    3.49458e+05   -1.38051e+06   -1.27867e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13625e+02   -2.12127e+02    8.85231e+01    3.73644e-06

           Step           Time
       15045000    30090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40918e+03    1.84801e+04    1.23778e+04    1.21873e+03   -2.75149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52167e+03    1.04538e+05    2.79552e+05   -1.71256e+04   -2.14924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19727e+04   -1.72904e+06    3.49666e+05   -1.37938e+06   -1.27863e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13812e+02   -2.10425e+02    9.79360e+00    4.09399e-06

           Step           Time
       15050000    30100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45419e+03    1.79102e+04    1.25049e+04    1.10671e+03   -2.76205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50265e+03    1.04675e+05    2.79605e+05   -1.71519e+04   -2.14920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21598e+04   -1.72920e+06    3.47527e+05   -1.38167e+06   -1.27860e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11892e+02   -2.11072e+02    5.86313e+00    4.06535e-06

           Step           Time
       15055000    30110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64522e+03    1.81656e+04    1.24629e+04    1.04048e+03   -2.77088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53744e+03    1.04713e+05    2.77960e+05   -1.71589e+04   -2.14821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21247e+04   -1.72949e+06    3.50265e+05   -1.37923e+06   -1.27854e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14349e+02   -2.11244e+02   -3.85112e+01    4.00143e-06

           Step           Time
       15060000    30120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96644e+03    1.82795e+04    1.24944e+04    1.23050e+03   -2.90037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45266e+03    1.04165e+05    2.80931e+05   -1.71515e+04   -2.15147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20825e+04   -1.72992e+06    3.48918e+05   -1.38101e+06   -1.27846e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13140e+02   -2.11062e+02    6.10080e+00    3.88921e-06

           Step           Time
       15065000    30130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.27241e+03    1.80919e+04    1.22757e+04    1.08935e+03   -2.76949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60516e+03    1.04027e+05    2.79220e+05   -1.71766e+04   -2.14953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21807e+04   -1.73072e+06    3.49330e+05   -1.38139e+06   -1.27852e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13510e+02   -2.11680e+02    2.98428e+01    3.86254e-06

           Step           Time
       15070000    30140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55662e+03    1.80340e+04    1.25342e+04    1.11554e+03   -2.89173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62341e+03    1.04270e+05    2.78310e+05   -1.71769e+04   -2.14762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21852e+04   -1.72906e+06    3.48088e+05   -1.38097e+06   -1.27847e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12395e+02   -2.11686e+02    1.01322e+01    3.83475e-06

           Step           Time
       15075000    30150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55066e+03    1.75327e+04    1.22762e+04    1.14386e+03   -2.81618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54102e+03    1.04720e+05    2.79822e+05   -1.71598e+04   -2.15028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23013e+04   -1.73037e+06    3.45856e+05   -1.38451e+06   -1.27845e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10392e+02   -2.11266e+02   -1.45463e+01    3.92611e-06

           Step           Time
       15080000    30160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51712e+03    1.85345e+04    1.24575e+04    1.09603e+03   -2.78456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56683e+03    1.04072e+05    2.81556e+05   -1.71936e+04   -2.15182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21205e+04   -1.72988e+06    3.50110e+05   -1.37977e+06   -1.27841e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14210e+02   -2.12098e+02    1.29193e+02    3.77051e-06

           Step           Time
       15085000    30170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33824e+03    1.80518e+04    1.22069e+04    1.06116e+03   -2.85219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68408e+03    1.04263e+05    2.80199e+05   -1.71817e+04   -2.14942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20165e+04   -1.72963e+06    3.48272e+05   -1.38136e+06   -1.27840e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12561e+02   -2.11804e+02    1.21284e+02    4.02239e-06

           Step           Time
       15090000    30180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68825e+03    1.87145e+04    1.25440e+04    1.09983e+03   -2.70637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51214e+03    1.04041e+05    2.79111e+05   -1.71618e+04   -2.14888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20161e+04   -1.72903e+06    3.49286e+05   -1.37974e+06   -1.27835e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13471e+02   -2.11316e+02    5.03551e+01    3.79292e-06

           Step           Time
       15095000    30190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42119e+03    1.78692e+04    1.23576e+04    1.05764e+03   -2.79043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46586e+03    1.04255e+05    2.79749e+05   -1.71764e+04   -2.15020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21242e+04   -1.73086e+06    3.47345e+05   -1.38352e+06   -1.27837e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11729e+02   -2.11673e+02    2.25223e+01    3.92302e-06

           Step           Time
       15100000    30200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35930e+03    1.82585e+04    1.23931e+04    1.09059e+03   -2.78715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51125e+03    1.04656e+05    2.79323e+05   -1.71913e+04   -2.14704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21717e+04   -1.72726e+06    3.49408e+05   -1.37785e+06   -1.27832e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13580e+02   -2.12040e+02    1.33304e+02    3.83058e-06

           Step           Time
       15105000    30210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47031e+03    1.83367e+04    1.22635e+04    1.06969e+03   -2.73195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45095e+03    1.04034e+05    2.80545e+05   -1.71364e+04   -2.14924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21117e+04   -1.72883e+06    3.49216e+05   -1.37961e+06   -1.27827e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13408e+02   -2.10690e+02    5.44503e+01    3.98322e-06

           Step           Time
       15110000    30220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50050e+03    1.82493e+04    1.23929e+04    1.07983e+03   -2.78502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58429e+03    1.04011e+05    2.80421e+05   -1.71320e+04   -2.14966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22411e+04   -1.72909e+06    3.48766e+05   -1.38033e+06   -1.27826e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13004e+02   -2.10583e+02    7.60813e+01    3.72673e-06

           Step           Time
       15115000    30230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47660e+03    1.79479e+04    1.26077e+04    1.08348e+03   -2.85997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69060e+03    1.04103e+05    2.77859e+05   -1.71824e+04   -2.14619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19287e+04   -1.72853e+06    3.48387e+05   -1.38014e+06   -1.27824e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12664e+02   -2.11822e+02   -5.88392e+00    3.87766e-06

           Step           Time
       15120000    30240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53575e+03    1.79750e+04    1.23080e+04    9.98973e+02   -2.82308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63715e+03    1.04249e+05    2.77715e+05   -1.71734e+04   -2.14622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21603e+04   -1.72864e+06    3.49073e+05   -1.37957e+06   -1.27821e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13280e+02   -2.11599e+02    3.50836e+01    3.96441e-06

           Step           Time
       15125000    30250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40868e+03    1.83160e+04    1.22791e+04    1.13582e+03   -2.81360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63423e+03    1.03902e+05    2.78800e+05   -1.71496e+04   -2.14676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20507e+04   -1.72820e+06    3.49519e+05   -1.37868e+06   -1.27819e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13680e+02   -2.11015e+02    7.76516e+01    3.85408e-06

           Step           Time
       15130000    30260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68436e+03    1.81703e+04    1.24134e+04    1.04897e+03   -2.75456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53481e+03    1.04290e+05    2.79139e+05   -1.71647e+04   -2.14875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19963e+04   -1.72939e+06    3.49955e+05   -1.37944e+06   -1.27813e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14071e+02   -2.11386e+02   -2.36020e+01    3.89378e-06

           Step           Time
       15135000    30270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34795e+03    1.81944e+04    1.23478e+04    1.08960e+03   -2.72543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58019e+03    1.04310e+05    2.77831e+05   -1.71468e+04   -2.14767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20866e+04   -1.72976e+06    3.49417e+05   -1.38034e+06   -1.27816e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13588e+02   -2.10946e+02   -4.57441e+01    3.89296e-06

           Step           Time
       15140000    30280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40854e+03    1.85237e+04    1.23926e+04    1.18077e+03   -2.75381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64352e+03    1.03846e+05    2.79733e+05   -1.71803e+04   -2.15072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20244e+04   -1.73090e+06    3.50405e+05   -1.38050e+06   -1.27805e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14475e+02   -2.11769e+02    4.73245e+01    3.80431e-06

           Step           Time
       15145000    30290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81700e+03    1.81128e+04    1.25239e+04    1.06133e+03   -2.78920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54147e+03    1.04256e+05    2.78603e+05   -1.71621e+04   -2.14959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20070e+04   -1.73062e+06    3.46549e+05   -1.38407e+06   -1.27800e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11015e+02   -2.11323e+02   -5.09741e+01    3.87219e-06

           Step           Time
       15150000    30300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63208e+03    1.80150e+04    1.22221e+04    1.11816e+03   -2.77262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52211e+03    1.04252e+05    2.79422e+05   -1.71552e+04   -2.14797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20203e+04   -1.72870e+06    3.49564e+05   -1.37913e+06   -1.27803e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13720e+02   -2.11153e+02    2.81588e+01    3.88219e-06

           Step           Time
       15155000    30310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37374e+03    1.79510e+04    1.24219e+04    1.05472e+03   -2.74964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52887e+03    1.04164e+05    2.77568e+05   -1.71442e+04   -2.14973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21209e+04   -1.73244e+06    3.48131e+05   -1.38431e+06   -1.27802e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12434e+02   -2.10883e+02   -1.27741e+02    3.89881e-06

           Step           Time
       15160000    30320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47618e+03    1.82723e+04    1.24475e+04    1.04103e+03   -2.73374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54191e+03    1.03990e+05    2.77195e+05   -1.71320e+04   -2.14558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22038e+04   -1.72828e+06    3.48764e+05   -1.37952e+06   -1.27796e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13002e+02   -2.10581e+02   -4.95853e+01    4.06807e-06

           Step           Time
       15165000    30330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32827e+03    1.79634e+04    1.25273e+04    1.14282e+03   -2.85927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50472e+03    1.04238e+05    2.78688e+05   -1.71663e+04   -2.14917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19254e+04   -1.73088e+06    3.47595e+05   -1.38328e+06   -1.27789e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11953e+02   -2.11426e+02    4.03330e+01    3.92599e-06

           Step           Time
       15170000    30340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56821e+03    1.83494e+04    1.23226e+04    1.07596e+03   -2.74961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45732e+03    1.04030e+05    2.78123e+05   -1.71459e+04   -2.14827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20882e+04   -1.73015e+06    3.49175e+05   -1.38097e+06   -1.27789e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13371e+02   -2.10924e+02   -1.16542e+02    4.03119e-06

           Step           Time
       15175000    30350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47265e+03    1.83765e+04    1.23725e+04    1.09430e+03   -2.76123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55499e+03    1.04247e+05    2.79125e+05   -1.71769e+04   -2.14940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21054e+04   -1.72999e+06    3.47616e+05   -1.38237e+06   -1.27783e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11971e+02   -2.11686e+02    4.11065e+01    3.91182e-06

           Step           Time
       15180000    30360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60201e+03    1.80443e+04    1.24805e+04    1.14750e+03   -2.74088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57973e+03    1.04293e+05    2.81622e+05   -1.71915e+04   -2.15254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20269e+04   -1.73068e+06    3.49887e+05   -1.38079e+06   -1.27780e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14010e+02   -2.12046e+02    1.12990e+02    4.04257e-06

           Step           Time
       15185000    30370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50901e+03    1.82913e+04    1.24556e+04    1.13911e+03   -2.77461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63823e+03    1.03801e+05    2.79752e+05   -1.71594e+04   -2.14921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21778e+04   -1.72938e+06    3.49395e+05   -1.37998e+06   -1.27778e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13569e+02   -2.11255e+02    5.84881e+01    4.06145e-06

           Step           Time
       15190000    30380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48345e+03    1.81949e+04    1.22762e+04    1.06791e+03   -2.75397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58650e+03    1.03760e+05    2.80520e+05   -1.71765e+04   -2.15259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20555e+04   -1.73257e+06    3.50604e+05   -1.38197e+06   -1.27778e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14653e+02   -2.11677e+02    6.40100e+01    3.95733e-06

           Step           Time
       15195000    30390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48998e+03    1.85059e+04    1.23668e+04    1.14931e+03   -2.82927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53292e+03    1.04235e+05    2.80538e+05   -1.71141e+04   -2.14997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20615e+04   -1.72903e+06    3.49899e+05   -1.37913e+06   -1.27772e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14020e+02   -2.10143e+02    6.26628e+01    3.82729e-06

           Step           Time
       15200000    30400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61250e+03    1.83965e+04    1.23454e+04    1.06366e+03   -2.76410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58059e+03    1.04472e+05    2.77500e+05   -1.71379e+04   -2.14735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19548e+04   -1.72932e+06    3.48363e+05   -1.38096e+06   -1.27765e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12642e+02   -2.10726e+02   -1.17518e+02    3.92742e-06

           Step           Time
       15205000    30410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67765e+03    1.84204e+04    1.23299e+04    1.13837e+03   -2.86165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38610e+03    1.04140e+05    2.77004e+05   -1.71171e+04   -2.14613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23267e+04   -1.72868e+06    3.49203e+05   -1.37948e+06   -1.27766e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13396e+02   -2.10217e+02   -1.46798e+02    3.81205e-06

           Step           Time
       15210000    30420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64998e+03    1.81796e+04    1.23782e+04    1.02671e+03   -2.82788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59223e+03    1.04617e+05    2.82052e+05   -1.72000e+04   -2.15165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22347e+04   -1.72895e+06    3.49108e+05   -1.37984e+06   -1.27761e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13311e+02   -2.12255e+02    2.00752e+02    3.94193e-06

           Step           Time
       15215000    30430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52865e+03    1.82260e+04    1.23577e+04    1.05499e+03   -2.72357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60392e+03    1.04051e+05    2.80790e+05   -1.71980e+04   -2.15073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20175e+04   -1.73002e+06    3.48193e+05   -1.38183e+06   -1.27758e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12490e+02   -2.12206e+02    4.73661e+01    3.89357e-06

           Step           Time
       15220000    30440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43356e+03    1.86074e+04    1.23251e+04    1.10121e+03   -2.77858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47411e+03    1.03680e+05    2.81428e+05   -1.71719e+04   -2.15118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20485e+04   -1.73003e+06    3.47653e+05   -1.38238e+06   -1.27756e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12005e+02   -2.11563e+02    5.40963e+01    3.86935e-06

           Step           Time
       15225000    30450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83039e+03    1.81383e+04    1.24965e+04    1.07145e+03   -2.81293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52641e+03    1.04303e+05    2.80144e+05   -1.71466e+04   -2.14888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21080e+04   -1.72822e+06    3.49690e+05   -1.37853e+06   -1.27752e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13833e+02   -2.10940e+02    6.40854e+01    4.03845e-06

           Step           Time
       15230000    30460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42132e+03    1.79579e+04    1.25539e+04    1.17385e+03   -2.78096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58329e+03    1.04724e+05    2.80503e+05   -1.71986e+04   -2.15560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20512e+04   -1.73461e+06    3.47979e+05   -1.38663e+06   -1.27747e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12297e+02   -2.12221e+02    3.69728e+01    3.88943e-06

           Step           Time
       15235000    30470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67445e+03    1.80339e+04    1.25073e+04    1.11150e+03   -2.86351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55243e+03    1.04336e+05    2.78276e+05   -1.71838e+04   -2.14969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19232e+04   -1.73132e+06    3.47111e+05   -1.38421e+06   -1.27742e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11518e+02   -2.11856e+02   -2.89174e+01    4.10287e-06

           Step           Time
       15240000    30480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46898e+03    1.79609e+04    1.23471e+04    1.04278e+03   -2.87817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54869e+03    1.04431e+05    2.79955e+05   -1.71733e+04   -2.15206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21833e+04   -1.73217e+06    3.48382e+05   -1.38379e+06   -1.27739e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12659e+02   -2.11599e+02    4.55347e+01    3.94453e-06

           Step           Time
       15245000    30490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66048e+03    1.81863e+04    1.25334e+04    1.07625e+03   -2.81586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56740e+03    1.04147e+05    2.78117e+05   -1.71512e+04   -2.14570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20927e+04   -1.72729e+06    3.47241e+05   -1.38005e+06   -1.27734e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11635e+02   -2.11054e+02   -1.66484e+01    3.88611e-06

           Step           Time
       15250000    30500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83890e+03    1.83136e+04    1.23165e+04    1.08055e+03   -2.83984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43767e+03    1.04224e+05    2.79072e+05   -1.71632e+04   -2.14832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20855e+04   -1.72895e+06    3.49697e+05   -1.37926e+06   -1.27732e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13840e+02   -2.11349e+02   -1.46304e+01    3.87699e-06

           Step           Time
       15255000    30510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36047e+03    1.78257e+04    1.23509e+04    1.10726e+03   -2.79980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62781e+03    1.04736e+05    2.77688e+05   -1.71531e+04   -2.14753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19976e+04   -1.72979e+06    3.47481e+05   -1.38231e+06   -1.27732e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11851e+02   -2.11101e+02   -9.26607e+00    3.98940e-06

           Step           Time
       15260000    30520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47269e+03    1.85065e+04    1.23703e+04    1.06830e+03   -2.89433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64240e+03    1.04322e+05    2.78607e+05   -1.71600e+04   -2.14745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20850e+04   -1.72843e+06    3.47121e+05   -1.38131e+06   -1.27724e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11527e+02   -2.11271e+02   -2.90261e+01    3.97258e-06

           Step           Time
       15265000    30530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59783e+03    1.84777e+04    1.23017e+04    1.10522e+03   -2.81737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51333e+03    1.04372e+05    2.77477e+05   -1.71184e+04   -2.14626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20761e+04   -1.72828e+06    3.47416e+05   -1.38086e+06   -1.27718e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11793e+02   -2.10250e+02   -7.77310e+01    3.97236e-06

           Step           Time
       15270000    30540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59355e+03    1.80109e+04    1.24537e+04    1.11055e+03   -2.79925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52350e+03    1.03710e+05    2.77794e+05   -1.71583e+04   -2.14738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19521e+04   -1.73019e+06    3.47838e+05   -1.38235e+06   -1.27718e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12171e+02   -2.11229e+02   -5.52298e+01    3.93247e-06

           Step           Time
       15275000    30550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61349e+03    1.83238e+04    1.22801e+04    1.10222e+03   -2.82943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54772e+03    1.03872e+05    2.76920e+05   -1.71778e+04   -2.14856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21379e+04   -1.73177e+06    3.49455e+05   -1.38232e+06   -1.27716e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13622e+02   -2.11708e+02   -9.62927e+01    4.01249e-06

           Step           Time
       15280000    30560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47044e+03    1.82922e+04    1.24390e+04    1.06966e+03   -2.69918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50864e+03    1.03532e+05    2.83292e+05   -1.71978e+04   -2.15482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18754e+04   -1.73224e+06    3.47879e+05   -1.38436e+06   -1.27714e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12208e+02   -2.12202e+02    2.10462e+02    3.94206e-06

           Step           Time
       15285000    30570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62437e+03    1.84488e+04    1.24816e+04    1.12009e+03   -2.83879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49741e+03    1.03635e+05    2.76494e+05   -1.71449e+04   -2.14438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23431e+04   -1.72772e+06    3.47772e+05   -1.37995e+06   -1.27712e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12111e+02   -2.10900e+02   -7.52747e+01    4.05610e-06

           Step           Time
       15290000    30580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69735e+03    1.79117e+04    1.22307e+04    1.11574e+03   -2.81758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52703e+03    1.04305e+05    2.80717e+05   -1.71359e+04   -2.15206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21685e+04   -1.73134e+06    3.47855e+05   -1.38349e+06   -1.27710e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12187e+02   -2.10679e+02   -4.59964e+01    3.83136e-06

           Step           Time
       15295000    30590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86575e+03    1.82018e+04    1.24058e+04    1.04581e+03   -2.80901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43771e+03    1.04132e+05    2.76379e+05   -1.71230e+04   -2.14418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23477e+04   -1.72730e+06    3.48120e+05   -1.37918e+06   -1.27705e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12425e+02   -2.10362e+02   -1.45394e+02    3.85823e-06

           Step           Time
       15300000    30600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63554e+03    1.84217e+04    1.25698e+04    1.15371e+03   -2.73847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47748e+03    1.04132e+05    2.80482e+05   -1.71371e+04   -2.14829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21836e+04   -1.72711e+06    3.48676e+05   -1.37843e+06   -1.27699e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12923e+02   -2.10708e+02    8.60621e+01    4.20346e-06

           Step           Time
       15305000    30610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48170e+03    1.80056e+04    1.25223e+04    1.11274e+03   -2.81440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51232e+03    1.04365e+05    2.80702e+05   -1.71766e+04   -2.15138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22485e+04   -1.73042e+06    3.48748e+05   -1.38167e+06   -1.27700e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12988e+02   -2.11679e+02    3.86998e+01    3.96766e-06

           Step           Time
       15310000    30620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38737e+03    1.80773e+04    1.25877e+04    1.07921e+03   -2.85882e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49089e+03    1.03780e+05    2.79850e+05   -1.71760e+04   -2.15195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20804e+04   -1.73266e+06    3.48446e+05   -1.38421e+06   -1.27702e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12717e+02   -2.11665e+02    3.86260e+01    3.93599e-06

           Step           Time
       15315000    30630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41864e+03    1.85528e+04    1.25071e+04    1.03303e+03   -2.84217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56906e+03    1.03996e+05    2.77833e+05   -1.71979e+04   -2.14805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21373e+04   -1.73004e+06    3.48561e+05   -1.38148e+06   -1.27697e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12820e+02   -2.12204e+02   -3.16318e+01    3.89688e-06

           Step           Time
       15320000    30640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76459e+03    1.79053e+04    1.25079e+04    1.03812e+03   -2.83531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55381e+03    1.04309e+05    2.79784e+05   -1.71683e+04   -2.15095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20595e+04   -1.73103e+06    3.47721e+05   -1.38331e+06   -1.27689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12066e+02   -2.11474e+02    1.52294e+01    3.85698e-06

           Step           Time
       15325000    30650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47738e+03    1.81676e+04    1.25352e+04    1.06117e+03   -2.80991e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63316e+03    1.04000e+05    2.81271e+05   -1.71279e+04   -2.15186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19859e+04   -1.73067e+06    3.49335e+05   -1.38134e+06   -1.27688e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13515e+02   -2.10482e+02    1.05179e+02    3.94713e-06

           Step           Time
       15330000    30660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37012e+03    1.84230e+04    1.24541e+04    1.10861e+03   -2.82500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53184e+03    1.04012e+05    2.78740e+05   -1.71662e+04   -2.14746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21372e+04   -1.72867e+06    3.48348e+05   -1.38033e+06   -1.27682e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12629e+02   -2.11423e+02   -3.84298e+01    3.79671e-06

           Step           Time
       15335000    30670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.35701e+03    1.82932e+04    1.24743e+04    1.17669e+03   -2.83516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63143e+03    1.03716e+05    2.80396e+05   -1.71524e+04   -2.15102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22324e+04   -1.73073e+06    3.49070e+05   -1.38166e+06   -1.27682e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13277e+02   -2.11084e+02    3.05123e+01    3.96933e-06

           Step           Time
       15340000    30680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60107e+03    1.81741e+04    1.23851e+04    1.09294e+03   -2.89627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54175e+03    1.03822e+05    2.76436e+05   -1.71247e+04   -2.14709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19822e+04   -1.73108e+06    3.49749e+05   -1.38133e+06   -1.27682e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13886e+02   -2.10402e+02   -9.26592e+01    4.06105e-06

           Step           Time
       15345000    30690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.29452e+03    1.85378e+04    1.22232e+04    1.02424e+03   -2.77095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55480e+03    1.03922e+05    2.78080e+05   -1.71516e+04   -2.14568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20642e+04   -1.72790e+06    3.48789e+05   -1.37911e+06   -1.27676e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13025e+02   -2.11063e+02    2.70663e+01    4.01008e-06

           Step           Time
       15350000    30700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47486e+03    1.84346e+04    1.24658e+04    1.12411e+03   -2.85569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61174e+03    1.03465e+05    2.78973e+05   -1.71396e+04   -2.14577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21039e+04   -1.72711e+06    3.48348e+05   -1.37876e+06   -1.27675e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12629e+02   -2.10768e+02    2.86989e+01    3.76469e-06

           Step           Time
       15355000    30710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54306e+03    1.80847e+04    1.25079e+04    1.04103e+03   -2.80916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57687e+03    1.03789e+05    2.77748e+05   -1.71390e+04   -2.14823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21320e+04   -1.73075e+06    3.50592e+05   -1.38016e+06   -1.27673e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14643e+02   -2.10755e+02   -4.99912e+01    3.95756e-06

           Step           Time
       15360000    30720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45197e+03    1.82217e+04    1.25835e+04    1.06838e+03   -2.82056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46780e+03    1.03898e+05    2.79146e+05   -1.71079e+04   -2.14695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20960e+04   -1.72795e+06    3.50220e+05   -1.37772e+06   -1.27670e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14309e+02   -2.09990e+02   -4.84720e+01    4.08107e-06

           Step           Time
       15365000    30730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76933e+03    1.84680e+04    1.23952e+04    1.06232e+03   -2.87216e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52220e+03    1.03398e+05    2.79953e+05   -1.71813e+04   -2.14781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21288e+04   -1.72817e+06    3.48953e+05   -1.37922e+06   -1.27664e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13172e+02   -2.11794e+02    4.25071e+01    3.94258e-06

           Step           Time
       15370000    30740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34052e+03    1.84313e+04    1.25331e+04    1.12097e+03   -3.02709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50487e+03    1.03672e+05    2.78944e+05   -1.71829e+04   -2.14711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20912e+04   -1.72868e+06    3.49439e+05   -1.37924e+06   -1.27659e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13608e+02   -2.11833e+02    2.54648e+01    3.99418e-06

           Step           Time
       15375000    30750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83983e+03    1.83289e+04    1.26170e+04    1.05676e+03   -2.89852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58078e+03    1.03688e+05    2.77834e+05   -1.71540e+04   -2.14777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21501e+04   -1.72973e+06    3.48398e+05   -1.38133e+06   -1.27648e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12674e+02   -2.11122e+02   -9.24493e+01    3.99318e-06

           Step           Time
       15380000    30760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71172e+03    1.80842e+04    1.26289e+04    1.22459e+03   -2.84546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49473e+03    1.03569e+05    2.80727e+05   -1.71571e+04   -2.14767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23853e+04   -1.72685e+06    3.49280e+05   -1.37757e+06   -1.27654e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13466e+02   -2.11198e+02    9.28999e+01    4.01825e-06

           Step           Time
       15385000    30770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49905e+03    1.84857e+04    1.25342e+04    1.07745e+03   -2.88160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58618e+03    1.03861e+05    2.77402e+05   -1.71458e+04   -2.14567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23407e+04   -1.72791e+06    3.47643e+05   -1.38027e+06   -1.27646e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11996e+02   -2.10922e+02   -7.94308e+01    3.98315e-06

           Step           Time
       15390000    30780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72175e+03    1.80342e+04    1.24398e+04    1.06477e+03   -2.76777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45219e+03    1.04010e+05    2.79501e+05   -1.71614e+04   -2.14759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22448e+04   -1.72805e+06    3.48874e+05   -1.37918e+06   -1.27641e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13101e+02   -2.11305e+02    1.00694e+01    3.87680e-06

           Step           Time
       15395000    30790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34345e+03    1.77964e+04    1.23422e+04    1.05868e+03   -2.79457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59013e+03    1.04230e+05    2.79968e+05   -1.71648e+04   -2.15143e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20924e+04   -1.73197e+06    3.47322e+05   -1.38464e+06   -1.27641e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11708e+02   -2.11389e+02   -2.57217e+01    3.78909e-06

           Step           Time
       15400000    30800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98964e+03    1.89300e+04    1.24958e+04    1.11046e+03   -2.76138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42577e+03    1.03576e+05    2.77767e+05   -1.71508e+04   -2.14570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20493e+04   -1.72727e+06    3.52104e+05   -1.37517e+06   -1.27638e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.16000e+02   -2.11045e+02   -1.23395e+02    3.96646e-06

           Step           Time
       15405000    30810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60035e+03    1.81672e+04    1.24166e+04    1.05586e+03   -2.88599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47479e+03    1.04251e+05    2.76963e+05   -1.72137e+04   -2.14725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20529e+04   -1.73037e+06    3.49069e+05   -1.38130e+06   -1.27638e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13276e+02   -2.12593e+02   -7.35894e+01    3.84817e-06

           Step           Time
       15410000    30820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.30897e+03    1.79180e+04    1.23703e+04    1.06870e+03   -2.80238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49227e+03    1.03999e+05    2.78951e+05   -1.71228e+04   -2.14900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22248e+04   -1.73059e+06    3.50268e+05   -1.38032e+06   -1.27637e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14352e+02   -2.10358e+02   -8.08758e+01    4.00146e-06

           Step           Time
       15415000    30830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36501e+03    1.83787e+04    1.25513e+04    1.09026e+03   -2.87305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56010e+03    1.03979e+05    2.79582e+05   -1.71575e+04   -2.15305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19758e+04   -1.73360e+06    3.47925e+05   -1.38568e+06   -1.27626e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12249e+02   -2.11208e+02   -8.61950e+01    3.82915e-06

           Step           Time
       15420000    30840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56303e+03    1.86647e+04    1.25174e+04    1.07006e+03   -2.90675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56808e+03    1.03773e+05    2.80772e+05   -1.71690e+04   -2.15152e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21617e+04   -1.73050e+06    3.49794e+05   -1.38071e+06   -1.27622e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13927e+02   -2.11491e+02    4.40237e+01    3.92145e-06

           Step           Time
       15425000    30850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41273e+03    1.82213e+04    1.23582e+04    1.13621e+03   -2.82795e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56605e+03    1.04278e+05    2.79331e+05   -1.71450e+04   -2.14957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20475e+04   -1.73019e+06    3.47479e+05   -1.38271e+06   -1.27619e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11849e+02   -2.10903e+02    8.09171e+00    3.93773e-06

           Step           Time
       15430000    30860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61014e+03    1.81075e+04    1.24341e+04    1.08200e+03   -2.87690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67067e+03    1.04301e+05    2.77332e+05   -1.71364e+04   -2.14703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20330e+04   -1.72947e+06    3.47282e+05   -1.38219e+06   -1.27618e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11672e+02   -2.10690e+02   -5.26530e+01    3.97768e-06

           Step           Time
       15435000    30870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54266e+03    1.79833e+04    1.23838e+04    1.01797e+03   -2.73715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44696e+03    1.04343e+05    2.80098e+05   -1.71513e+04   -2.15151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20935e+04   -1.73149e+06    3.47757e+05   -1.38373e+06   -1.27617e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12098e+02   -2.11057e+02   -2.70638e+01    3.84873e-06

           Step           Time
       15440000    30880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48216e+03    1.81987e+04    1.25440e+04    1.01923e+03   -2.83272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52842e+03    1.04237e+05    2.78539e+05   -1.71729e+04   -2.14918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19394e+04   -1.73070e+06    3.48524e+05   -1.38218e+06   -1.27614e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12787e+02   -2.11589e+02    2.58037e+01    3.99173e-06

           Step           Time
       15445000    30890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65274e+03    1.82090e+04    1.25973e+04    1.01366e+03   -2.81833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40727e+03    1.04228e+05    2.77303e+05   -1.71094e+04   -2.14551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21609e+04   -1.72786e+06    3.48753e+05   -1.37911e+06   -1.27616e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12992e+02   -2.10028e+02   -1.48130e+02    3.97735e-06

Writing checkpoint, step 15448000 at Thu Dec  7 11:27:56 2023


           Step           Time
       15450000    30900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76846e+03    1.84155e+04    1.23237e+04    1.13289e+03   -2.82334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49890e+03    1.04047e+05    2.78333e+05   -1.71409e+04   -2.14900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20826e+04   -1.73036e+06    3.49742e+05   -1.38062e+06   -1.27608e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13880e+02   -2.10801e+02   -6.66118e+01    4.06984e-06

           Step           Time
       15455000    30910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54638e+03    1.83033e+04    1.24204e+04    1.13419e+03   -2.84175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48712e+03    1.04138e+05    2.77806e+05   -1.71194e+04   -2.14734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21753e+04   -1.72929e+06    3.48760e+05   -1.38053e+06   -1.27607e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12998e+02   -2.10274e+02   -1.00950e+02    4.07336e-06

           Step           Time
       15460000    30920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53745e+03    1.82443e+04    1.23246e+04    1.11910e+03   -2.82342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51819e+03    1.03799e+05    2.78620e+05   -1.71855e+04   -2.14813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21149e+04   -1.72986e+06    3.50156e+05   -1.37970e+06   -1.27607e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14251e+02   -2.11898e+02   -1.22347e+01    3.90769e-06

           Step           Time
       15465000    30930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51839e+03    1.79995e+04    1.23543e+04    9.96975e+02   -2.88070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54948e+03    1.04109e+05    2.79458e+05   -1.71747e+04   -2.15327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21431e+04   -1.73420e+06    3.47737e+05   -1.38646e+06   -1.27604e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12080e+02   -2.11632e+02   -7.82965e+01    3.98587e-06

           Step           Time
       15470000    30940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56608e+03    1.79499e+04    1.25215e+04    1.07610e+03   -2.76553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56048e+03    1.04141e+05    2.77878e+05   -1.71470e+04   -2.14713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23353e+04   -1.72901e+06    3.49589e+05   -1.37942e+06   -1.27601e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13743e+02   -2.10952e+02   -3.56753e+01    3.88982e-06

           Step           Time
       15475000    30950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52803e+03    1.80000e+04    1.25439e+04    1.08170e+03   -2.75250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56375e+03    1.04138e+05    2.77087e+05   -1.71651e+04   -2.14567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22526e+04   -1.72839e+06    3.47707e+05   -1.38068e+06   -1.27599e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12053e+02   -2.11396e+02   -5.26798e+01    3.91451e-06

           Step           Time
       15480000    30960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79406e+03    1.84321e+04    1.24213e+04    1.11033e+03   -2.86866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.39157e+03    1.04128e+05    2.82445e+05   -1.71631e+04   -2.15445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20843e+04   -1.73167e+06    3.50093e+05   -1.38158e+06   -1.27596e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14195e+02   -2.11347e+02    8.25516e+01    3.92228e-06

           Step           Time
       15485000    30970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33821e+03    1.82888e+04    1.25655e+04    1.17413e+03   -2.95226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51827e+03    1.04396e+05    2.79621e+05   -1.71479e+04   -2.14855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21406e+04   -1.72860e+06    3.48844e+05   -1.37976e+06   -1.27593e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13074e+02   -2.10972e+02    1.02186e+02    3.98626e-06

           Step           Time
       15490000    30980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46728e+03    1.82877e+04    1.24118e+04    1.09460e+03   -2.90957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58692e+03    1.04356e+05    2.77608e+05   -1.71475e+04   -2.14628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21536e+04   -1.72837e+06    3.49053e+05   -1.37932e+06   -1.27587e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13261e+02   -2.10963e+02   -3.49182e+01    3.81519e-06

           Step           Time
       15495000    30990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43643e+03    1.83410e+04    1.25276e+04    1.19323e+03   -2.89149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54480e+03    1.03924e+05    2.77841e+05   -1.71738e+04   -2.14855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18985e+04   -1.73090e+06    3.48970e+05   -1.38193e+06   -1.27587e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13187e+02   -2.11609e+02   -2.26778e+01    3.83796e-06

           Step           Time
       15500000    31000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61722e+03    1.80822e+04    1.23851e+04    1.10200e+03   -2.75754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41602e+03    1.03913e+05    2.76893e+05   -1.71601e+04   -2.14453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21056e+04   -1.72793e+06    3.47930e+05   -1.38000e+06   -1.27584e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12253e+02   -2.11272e+02   -8.05620e+01    3.87555e-06

           Step           Time
       15505000    31010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44502e+03    1.83227e+04    1.23543e+04    1.11285e+03   -2.91319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48737e+03    1.04281e+05    2.79010e+05   -1.71529e+04   -2.14841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19952e+04   -1.72947e+06    3.49109e+05   -1.38036e+06   -1.27581e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13312e+02   -2.11096e+02   -5.21450e+01    3.97447e-06

           Step           Time
       15510000    31020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70949e+03    1.82163e+04    1.22976e+04    9.99020e+02   -2.87759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40323e+03    1.04078e+05    2.79968e+05   -1.71411e+04   -2.14966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20877e+04   -1.72992e+06    3.47057e+05   -1.38286e+06   -1.27569e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11470e+02   -2.10805e+02   -1.34779e+01    3.84214e-06

           Step           Time
       15515000    31030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50503e+03    1.85726e+04    1.23832e+04    1.14043e+03   -2.80142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59445e+03    1.03898e+05    2.80102e+05   -1.71715e+04   -2.14902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20806e+04   -1.72872e+06    3.49448e+05   -1.37927e+06   -1.27571e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13616e+02   -2.11554e+02    3.78391e+01    3.98567e-06

           Step           Time
       15520000    31040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81036e+03    1.81939e+04    1.23378e+04    1.06157e+03   -2.80768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.38202e+03    1.04072e+05    2.82213e+05   -1.71686e+04   -2.15270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21540e+04   -1.73045e+06    3.47720e+05   -1.38273e+06   -1.27565e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12065e+02   -2.11482e+02    8.85699e+01    3.84709e-06

           Step           Time
       15525000    31050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40649e+03    1.85723e+04    1.24020e+04    1.13445e+03   -2.95985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45605e+03    1.03884e+05    2.80478e+05   -1.71469e+04   -2.14912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22026e+04   -1.72869e+06    3.48605e+05   -1.38008e+06   -1.27566e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12860e+02   -2.10948e+02    7.93912e+01    3.80610e-06

           Step           Time
       15530000    31060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56788e+03    1.82147e+04    1.24211e+04    1.08022e+03   -2.89753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54915e+03    1.04216e+05    2.79209e+05   -1.71778e+04   -2.14995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20072e+04   -1.73076e+06    3.47352e+05   -1.38341e+06   -1.27560e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11734e+02   -2.11708e+02   -3.46062e+01    3.96857e-06

           Step           Time
       15535000    31070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38072e+03    1.87115e+04    1.27398e+04    1.11485e+03   -3.02494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56596e+03    1.03579e+05    2.81007e+05   -1.71665e+04   -2.14997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20859e+04   -1.72897e+06    3.50121e+05   -1.37885e+06   -1.27558e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14220e+02   -2.11431e+02    1.09000e+02    3.90027e-06

           Step           Time
       15540000    31080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47411e+03    1.81991e+04    1.24726e+04    1.08379e+03   -2.92860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51750e+03    1.03907e+05    2.78097e+05   -1.71472e+04   -2.14898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19889e+04   -1.73131e+06    3.48542e+05   -1.38277e+06   -1.27557e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12803e+02   -2.10955e+02   -5.92652e+01    3.94864e-06

           Step           Time
       15545000    31090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55904e+03    1.82081e+04    1.25197e+04    1.01708e+03   -2.91833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54149e+03    1.03662e+05    2.80086e+05   -1.71968e+04   -2.15054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21943e+04   -1.73087e+06    3.48620e+05   -1.38225e+06   -1.27548e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12873e+02   -2.12177e+02    1.60133e+01    4.06753e-06

           Step           Time
       15550000    31100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40985e+03    1.80741e+04    1.25745e+04    1.05364e+03   -2.82169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49974e+03    1.03423e+05    2.79055e+05   -1.71475e+04   -2.14864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21313e+04   -1.73039e+06    3.50704e+05   -1.37968e+06   -1.27547e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14743e+02   -2.10963e+02   -1.76226e+01    3.92274e-06

           Step           Time
       15555000    31110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54676e+03    1.81489e+04    1.23353e+04    1.08920e+03   -2.78651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48950e+03    1.03727e+05    2.79039e+05   -1.71535e+04   -2.14992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19935e+04   -1.73149e+06    3.48595e+05   -1.38290e+06   -1.27537e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12850e+02   -2.11112e+02   -5.10751e+01    3.93021e-06

           Step           Time
       15560000    31120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82515e+03    1.86194e+04    1.25496e+04    1.15161e+03   -2.91043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45725e+03    1.03239e+05    2.79617e+05   -1.71675e+04   -2.14836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20560e+04   -1.72893e+06    3.48975e+05   -1.37995e+06   -1.27532e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13191e+02   -2.11456e+02    2.41368e+01    3.81242e-06

           Step           Time
       15565000    31130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68019e+03    1.83969e+04    1.22898e+04    9.89796e+02   -2.83833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55707e+03    1.03588e+05    2.78510e+05   -1.71418e+04   -2.14703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21284e+04   -1.72887e+06    3.48149e+05   -1.38072e+06   -1.27531e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12450e+02   -2.10822e+02   -3.22383e+01    3.99074e-06

           Step           Time
       15570000    31140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53413e+03    1.82677e+04    1.25066e+04    1.07369e+03   -2.94849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66594e+03    1.03784e+05    2.79292e+05   -1.71847e+04   -2.14869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20833e+04   -1.72962e+06    3.48697e+05   -1.38092e+06   -1.27526e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12942e+02   -2.11879e+02    6.26268e+01    3.92099e-06

           Step           Time
       15575000    31150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75511e+03    1.84866e+04    1.25031e+04    1.09483e+03   -2.92559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62827e+03    1.03409e+05    2.79022e+05   -1.71378e+04   -2.14718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23319e+04   -1.72801e+06    3.48691e+05   -1.37932e+06   -1.27519e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12937e+02   -2.10725e+02    6.94535e+00    3.88632e-06

           Step           Time
       15580000    31160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83578e+03    1.81994e+04    1.25846e+04    1.02162e+03   -2.86583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52417e+03    1.03843e+05    2.78129e+05   -1.72199e+04   -2.14917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21500e+04   -1.73097e+06    3.50545e+05   -1.38042e+06   -1.27519e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14600e+02   -2.12746e+02   -2.18163e+01    4.06880e-06

           Step           Time
       15585000    31170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51920e+03    1.87077e+04    1.23695e+04    9.91057e+02   -2.80195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51188e+03    1.03441e+05    2.80904e+05   -1.72133e+04   -2.15034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20094e+04   -1.72990e+06    3.48962e+05   -1.38094e+06   -1.27514e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13180e+02   -2.12583e+02    1.52320e+02    3.98408e-06

           Step           Time
       15590000    31180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48591e+03    1.82455e+04    1.22894e+04    1.09169e+03   -2.80296e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54292e+03    1.03666e+05    2.77774e+05   -1.71355e+04   -2.14678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19512e+04   -1.72967e+06    3.46466e+05   -1.38320e+06   -1.27510e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10940e+02   -2.10669e+02   -6.61604e+01    4.02484e-06

           Step           Time
       15595000    31190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51369e+03    1.83549e+04    1.23460e+04    1.08085e+03   -2.85025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55681e+03    1.03725e+05    2.79571e+05   -1.72038e+04   -2.14910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20080e+04   -1.72999e+06    3.49410e+05   -1.38058e+06   -1.27513e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13582e+02   -2.12349e+02    7.45630e+01    3.80597e-06

           Step           Time
       15600000    31200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47922e+03    1.85976e+04    1.25410e+04    1.06869e+03   -2.83940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45785e+03    1.03850e+05    2.78577e+05   -1.72190e+04   -2.14904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18787e+04   -1.73065e+06    3.48251e+05   -1.38240e+06   -1.27506e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12542e+02   -2.12725e+02    2.05719e+01    3.95303e-06

           Step           Time
       15605000    31210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57853e+03    1.84636e+04    1.24944e+04    1.00093e+03   -2.82328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44082e+03    1.03964e+05    2.78046e+05   -1.71593e+04   -2.14648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19649e+04   -1.72851e+06    3.49564e+05   -1.37894e+06   -1.27503e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13720e+02   -2.11253e+02   -5.04814e+01    4.07556e-06

           Step           Time
       15610000    31220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85076e+03    1.83701e+04    1.24047e+04    1.09326e+03   -2.89721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52839e+03    1.03638e+05    2.78371e+05   -1.71397e+04   -2.14648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21327e+04   -1.72813e+06    3.48885e+05   -1.37924e+06   -1.27499e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13111e+02   -2.10772e+02   -2.79178e+01    3.96333e-06

           Step           Time
       15615000    31230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44713e+03    1.84877e+04    1.25792e+04    1.09490e+03   -2.80065e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52667e+03    1.03796e+05    2.79659e+05   -1.71604e+04   -2.14919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23031e+04   -1.72926e+06    3.48729e+05   -1.38053e+06   -1.27498e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12971e+02   -2.11280e+02    6.58093e+01    3.92989e-06

           Step           Time
       15620000    31240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51234e+03    1.84241e+04    1.26605e+04    1.05700e+03   -2.85229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46806e+03    1.03885e+05    2.78351e+05   -1.71633e+04   -2.14718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21364e+04   -1.72870e+06    3.45483e+05   -1.38322e+06   -1.27488e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10057e+02   -2.11351e+02   -7.24567e+01    3.92928e-06

           Step           Time
       15625000    31250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50302e+03    1.81358e+04    1.25639e+04    1.11641e+03   -2.90909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54325e+03    1.04104e+05    2.81417e+05   -1.71665e+04   -2.15362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20855e+04   -1.73222e+06    3.49104e+05   -1.38312e+06   -1.27495e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13308e+02   -2.11431e+02    1.10301e+01    3.88254e-06

           Step           Time
       15630000    31260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62972e+03    1.80449e+04    1.26149e+04    1.08749e+03   -2.82639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53442e+03    1.03917e+05    2.80850e+05   -1.71558e+04   -2.15287e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21966e+04   -1.73198e+06    3.48421e+05   -1.38356e+06   -1.27492e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12694e+02   -2.11166e+02   -1.63321e+00    3.91201e-06

           Step           Time
       15635000    31270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38729e+03    1.81682e+04    1.24632e+04    1.03134e+03   -2.80764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51034e+03    1.04030e+05    2.79495e+05   -1.71733e+04   -2.15157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21780e+04   -1.73229e+06    3.47444e+05   -1.38485e+06   -1.27489e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11817e+02   -2.11598e+02    4.80612e+01    3.87819e-06

           Step           Time
       15640000    31280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49575e+03    1.82632e+04    1.26631e+04    1.12010e+03   -2.79534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59287e+03    1.03980e+05    2.79079e+05   -1.71519e+04   -2.14921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20548e+04   -1.72991e+06    3.49163e+05   -1.38074e+06   -1.27484e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13360e+02   -2.11071e+02    1.83751e+01    3.95250e-06

           Step           Time
       15645000    31290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53301e+03    1.83739e+04    1.25920e+04    1.13104e+03   -2.86836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52445e+03    1.03639e+05    2.78430e+05   -1.71792e+04   -2.14854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19356e+04   -1.73043e+06    3.48707e+05   -1.38172e+06   -1.27480e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12951e+02   -2.11742e+02   -2.69108e+01    4.07749e-06

           Step           Time
       15650000    31300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72677e+03    1.80850e+04    1.25479e+04    1.01524e+03   -2.74108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40788e+03    1.03807e+05    2.79781e+05   -1.71498e+04   -2.14876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20228e+04   -1.72926e+06    3.48801e+05   -1.38046e+06   -1.27481e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13035e+02   -2.11019e+02   -1.85363e+01    4.03636e-06

           Step           Time
       15655000    31310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69138e+03    1.82386e+04    1.24899e+04    1.01972e+03   -2.82280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53343e+03    1.04368e+05    2.82930e+05   -1.71747e+04   -2.15435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20935e+04   -1.73099e+06    3.49727e+05   -1.38126e+06   -1.27478e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13867e+02   -2.11633e+02    1.41607e+02    3.88189e-06

           Step           Time
       15660000    31320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59955e+03    1.81865e+04    1.23904e+04    1.11358e+03   -2.73623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49832e+03    1.03607e+05    2.78631e+05   -1.71850e+04   -2.14918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22045e+04   -1.73087e+06    3.50462e+05   -1.38040e+06   -1.27478e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14526e+02   -2.11887e+02   -6.35726e+00    4.02458e-06

           Step           Time
       15665000    31330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57087e+03    1.83240e+04    1.27261e+04    1.21056e+03   -2.81801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54880e+03    1.03924e+05    2.76746e+05   -1.71749e+04   -2.14650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20750e+04   -1.72937e+06    3.48483e+05   -1.38088e+06   -1.27474e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12750e+02   -2.11636e+02   -9.00422e+01    3.96309e-06

           Step           Time
       15670000    31340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52576e+03    1.80734e+04    1.23824e+04    1.03612e+03   -2.87528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61686e+03    1.04432e+05    2.81175e+05   -1.72067e+04   -2.15229e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21494e+04   -1.73098e+06    3.48166e+05   -1.38282e+06   -1.27472e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12465e+02   -2.12420e+02    1.06355e+02    3.92217e-06

           Step           Time
       15675000    31350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49996e+03    1.80575e+04    1.26213e+04    1.15317e+03   -2.91798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43100e+03    1.04107e+05    2.79956e+05   -1.71947e+04   -2.15115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19507e+04   -1.73148e+06    3.49519e+05   -1.38196e+06   -1.27475e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13680e+02   -2.12124e+02   -2.42986e+00    4.23933e-06

           Step           Time
       15680000    31360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50128e+03    1.86328e+04    1.24625e+04    1.09715e+03   -2.89647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51648e+03    1.03799e+05    2.81837e+05   -1.71655e+04   -2.15208e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20276e+04   -1.73027e+06    3.49843e+05   -1.38042e+06   -1.27464e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13970e+02   -2.11406e+02    9.94120e+01    3.94864e-06

           Step           Time
       15685000    31370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57341e+03    1.83950e+04    1.24154e+04    1.08389e+03   -2.72536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45620e+03    1.04094e+05    2.79628e+05   -1.71786e+04   -2.15042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20117e+04   -1.73067e+06    3.48321e+05   -1.38235e+06   -1.27462e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12604e+02   -2.11728e+02   -1.67963e+01    4.11807e-06

           Step           Time
       15690000    31380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54252e+03    1.78522e+04    1.23836e+04    1.13363e+03   -2.86137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52944e+03    1.04326e+05    2.80124e+05   -1.71730e+04   -2.15087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22174e+04   -1.73080e+06    3.48498e+05   -1.38230e+06   -1.27459e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12763e+02   -2.11590e+02    6.47572e+01    4.01291e-06

           Step           Time
       15695000    31390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36284e+03    1.83937e+04    1.23537e+04    1.12410e+03   -2.75206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65750e+03    1.03969e+05    2.79102e+05   -1.71459e+04   -2.14933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22772e+04   -1.72999e+06    3.48298e+05   -1.38169e+06   -1.27453e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12584e+02   -2.10924e+02    4.37609e+01    3.98398e-06

           Step           Time
       15700000    31400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44902e+03    1.85916e+04    1.24426e+04    1.05629e+03   -2.80663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59396e+03    1.04363e+05    2.80821e+05   -1.71702e+04   -2.14970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22548e+04   -1.72810e+06    3.47158e+05   -1.38094e+06   -1.27448e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11561e+02   -2.11522e+02    1.11360e+02    3.91289e-06

           Step           Time
       15705000    31410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32402e+03    1.80109e+04    1.22807e+04    1.05956e+03   -2.74380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71444e+03    1.04430e+05    2.76876e+05   -1.71844e+04   -2.14841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19353e+04   -1.73171e+06    3.48201e+05   -1.38351e+06   -1.27455e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12497e+02   -2.11871e+02   -6.09805e+00    4.02813e-06

           Step           Time
       15710000    31420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51954e+03    1.83185e+04    1.23085e+04    1.12525e+03   -2.86764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55607e+03    1.03502e+05    2.77609e+05   -1.71353e+04   -2.14492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23133e+04   -1.72767e+06    3.47640e+05   -1.38003e+06   -1.27446e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11994e+02   -2.10664e+02   -7.10682e+01    3.99267e-06

           Step           Time
       15715000    31430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40190e+03    1.84846e+04    1.24296e+04    1.13014e+03   -2.92354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53976e+03    1.03487e+05    2.80402e+05   -1.72061e+04   -2.15155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19519e+04   -1.73186e+06    3.47707e+05   -1.38415e+06   -1.27443e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12054e+02   -2.12405e+02    6.96172e+01    3.91713e-06

           Step           Time
       15720000    31440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70117e+03    1.82435e+04    1.24205e+04    1.11566e+03   -2.95428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56340e+03    1.04117e+05    2.80149e+05   -1.71539e+04   -2.14986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19160e+04   -1.72974e+06    3.48204e+05   -1.38154e+06   -1.27440e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12499e+02   -2.11121e+02    3.36845e+01    4.05607e-06

           Step           Time
       15725000    31450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38360e+03    1.85952e+04    1.24015e+04    1.16917e+03   -2.74564e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62795e+03    1.03803e+05    2.80472e+05   -1.71371e+04   -2.14893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21329e+04   -1.72823e+06    3.48603e+05   -1.37962e+06   -1.27433e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12858e+02   -2.10708e+02    9.51305e+01    4.01084e-06

           Step           Time
       15730000    31460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92726e+03    1.81568e+04    1.23966e+04    1.13995e+03   -2.78132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50933e+03    1.03936e+05    2.76254e+05   -1.71343e+04   -2.14415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22192e+04   -1.72752e+06    3.47173e+05   -1.38035e+06   -1.27434e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11575e+02   -2.10638e+02   -1.64643e+02    4.11744e-06

           Step           Time
       15735000    31470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45661e+03    1.78304e+04    1.22782e+04    1.06295e+03   -2.83153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56039e+03    1.04353e+05    2.80858e+05   -1.71438e+04   -2.15304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21765e+04   -1.73244e+06    3.47445e+05   -1.38500e+06   -1.27435e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11819e+02   -2.10873e+02    9.15163e+00    4.06596e-06

           Step           Time
       15740000    31480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64854e+03    1.84645e+04    1.23080e+04    1.04221e+03   -2.81032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48711e+03    1.03625e+05    2.78356e+05   -1.71808e+04   -2.14752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19520e+04   -1.72963e+06    3.47182e+05   -1.38244e+06   -1.27427e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11582e+02   -2.11782e+02   -1.45129e+01    3.96597e-06

           Step           Time
       15745000    31490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64406e+03    1.82682e+04    1.25798e+04    1.14669e+03   -2.84759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48843e+03    1.03926e+05    2.77573e+05   -1.71792e+04   -2.14770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20424e+04   -1.73006e+06    3.49683e+05   -1.38038e+06   -1.27426e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13827e+02   -2.11742e+02   -4.69596e+01    3.98525e-06

           Step           Time
       15750000    31500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55225e+03    1.83418e+04    1.24882e+04    1.08665e+03   -2.84008e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40520e+03    1.03584e+05    2.81487e+05   -1.71751e+04   -2.15232e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20884e+04   -1.73130e+06    3.48429e+05   -1.38287e+06   -1.27420e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12701e+02   -2.11641e+02    9.55399e+00    3.94040e-06

           Step           Time
       15755000    31510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34162e+03    1.79561e+04    1.25758e+04    1.11447e+03   -2.96723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59008e+03    1.03998e+05    2.79517e+05   -1.71844e+04   -2.15000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20342e+04   -1.73102e+06    3.48280e+05   -1.38275e+06   -1.27422e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12567e+02   -2.11872e+02    8.67164e+01    4.02945e-06

           Step           Time
       15760000    31520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51281e+03    1.81205e+04    1.24693e+04    1.07339e+03   -2.76207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.34574e+03    1.04104e+05    2.79737e+05   -1.71437e+04   -2.15147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21031e+04   -1.73191e+06    3.45756e+05   -1.38615e+06   -1.27416e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10303e+02   -2.10869e+02   -5.47409e+01    3.87857e-06

           Step           Time
       15765000    31530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61517e+03    1.82222e+04    1.24868e+04    1.08291e+03   -2.91647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61590e+03    1.03904e+05    2.80521e+05   -1.71660e+04   -2.15012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18950e+04   -1.72986e+06    3.49758e+05   -1.38010e+06   -1.27414e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13894e+02   -2.11417e+02    2.68758e+01    4.02154e-06

           Step           Time
       15770000    31540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51058e+03    1.82619e+04    1.25914e+04    1.15545e+03   -2.91965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59004e+03    1.04062e+05    2.79697e+05   -1.71754e+04   -2.15045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21250e+04   -1.73055e+06    3.48282e+05   -1.38226e+06   -1.27409e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12570e+02   -2.11648e+02    4.63008e+01    3.96050e-06

           Step           Time
       15775000    31550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57406e+03    1.82996e+04    1.24552e+04    1.03366e+03   -2.84133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50354e+03    1.04052e+05    2.80834e+05   -1.71483e+04   -2.14895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21722e+04   -1.72802e+06    3.49479e+05   -1.37854e+06   -1.27407e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13644e+02   -2.10984e+02    6.21556e+01    4.11046e-06

           Step           Time
       15780000    31560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61018e+03    1.81553e+04    1.24879e+04    1.07640e+03   -2.80368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54575e+03    1.03626e+05    2.81097e+05   -1.71521e+04   -2.15068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21288e+04   -1.72991e+06    3.48236e+05   -1.38168e+06   -1.27405e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12528e+02   -2.11077e+02    5.86136e+01    3.87074e-06

           Step           Time
       15785000    31570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59191e+03    1.85261e+04    1.23999e+04    1.16653e+03   -2.82903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56299e+03    1.03757e+05    2.80008e+05   -1.71628e+04   -2.15014e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19700e+04   -1.73015e+06    3.48215e+05   -1.38194e+06   -1.27396e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12509e+02   -2.11339e+02    6.57870e+01    4.04314e-06

           Step           Time
       15790000    31580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.32633e+03    1.83636e+04    1.25986e+04    1.05828e+03   -2.89538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53022e+03    1.03901e+05    2.82642e+05   -1.71359e+04   -2.15301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20233e+04   -1.73060e+06    3.48006e+05   -1.38259e+06   -1.27397e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12322e+02   -2.10679e+02    8.11944e+01    3.93604e-06

           Step           Time
       15795000    31590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61034e+03    1.81680e+04    1.25572e+04    1.15592e+03   -2.78423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54437e+03    1.04219e+05    2.81421e+05   -1.71966e+04   -2.14983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20567e+04   -1.72808e+06    3.48837e+05   -1.37924e+06   -1.27389e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13068e+02   -2.12172e+02    1.52591e+02    3.95674e-06

           Step           Time
       15800000    31600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46203e+03    1.82009e+04    1.23631e+04    1.09263e+03   -2.85377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44932e+03    1.03897e+05    2.80098e+05   -1.71592e+04   -2.15120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20864e+04   -1.73156e+06    3.49636e+05   -1.38193e+06   -1.27391e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13785e+02   -2.11251e+02    1.45335e+01    3.92425e-06

           Step           Time
       15805000    31610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37661e+03    1.85706e+04    1.24256e+04    1.07204e+03   -2.75436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63209e+03    1.03646e+05    2.79840e+05   -1.71170e+04   -2.15081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23266e+04   -1.73079e+06    3.49172e+05   -1.38162e+06   -1.27385e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13368e+02   -2.10213e+02    5.50804e+01    3.98036e-06

           Step           Time
       15810000    31620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58964e+03    1.83660e+04    1.25957e+04    1.06098e+03   -2.83742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48046e+03    1.04248e+05    2.79461e+05   -1.71116e+04   -2.14900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19810e+04   -1.72917e+06    3.48986e+05   -1.38018e+06   -1.27380e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13201e+02   -2.10081e+02    8.26453e+00    3.90786e-06

           Step           Time
       15815000    31630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.37643e+03    1.81624e+04    1.25507e+04    1.04619e+03   -2.79431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61500e+03    1.04227e+05    2.80983e+05   -1.71954e+04   -2.15233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20238e+04   -1.73134e+06    3.49797e+05   -1.38154e+06   -1.27374e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13930e+02   -2.12141e+02    7.16353e+01    3.97152e-06

           Step           Time
       15820000    31640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68036e+03    1.81078e+04    1.24944e+04    1.11512e+03   -2.74867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63195e+03    1.03751e+05    2.79579e+05   -1.71788e+04   -2.14867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23554e+04   -1.72888e+06    3.50960e+05   -1.37792e+06   -1.27377e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14973e+02   -2.11733e+02    6.26606e+01    3.88878e-06

           Step           Time
       15825000    31650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66920e+03    1.80070e+04    1.25319e+04    1.13831e+03   -2.85449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47107e+03    1.04066e+05    2.80967e+05   -1.71737e+04   -2.15096e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22876e+04   -1.72985e+06    3.48441e+05   -1.38141e+06   -1.27369e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12713e+02   -2.11608e+02    4.64253e+01    3.80965e-06

           Step           Time
       15830000    31660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78108e+03    1.84357e+04    1.24373e+04    1.08032e+03   -2.80244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53178e+03    1.03609e+05    2.79265e+05   -1.71538e+04   -2.14824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21164e+04   -1.72894e+06    3.48956e+05   -1.37998e+06   -1.27369e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13174e+02   -2.11117e+02    4.28963e+00    3.89660e-06

           Step           Time
       15835000    31670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58029e+03    1.83187e+04    1.22588e+04    1.09640e+03   -2.84562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46152e+03    1.04333e+05    2.78576e+05   -1.71402e+04   -2.14862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20975e+04   -1.72989e+06    3.49711e+05   -1.38018e+06   -1.27369e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13852e+02   -2.10785e+02   -4.05571e+01    4.01866e-06

           Step           Time
       15840000    31680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65605e+03    1.82062e+04    1.24862e+04    1.08722e+03   -2.85186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46752e+03    1.03919e+05    2.78899e+05   -1.71780e+04   -2.14609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20601e+04   -1.72734e+06    3.49045e+05   -1.37829e+06   -1.27365e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13254e+02   -2.11714e+02   -2.43715e+01    3.97592e-06

           Step           Time
       15845000    31690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.28266e+03    1.81029e+04    1.24778e+04    1.02947e+03   -2.86845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50365e+03    1.04344e+05    2.79602e+05   -1.71570e+04   -2.15187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20741e+04   -1.73248e+06    3.48115e+05   -1.38437e+06   -1.27361e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12419e+02   -2.11196e+02    2.25035e+01    4.03668e-06

           Step           Time
       15850000    31700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45569e+03    1.85358e+04    1.25356e+04    1.04009e+03   -2.75503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44403e+03    1.03715e+05    2.77576e+05   -1.71435e+04   -2.14587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21181e+04   -1.72834e+06    3.49054e+05   -1.37929e+06   -1.27358e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13263e+02   -2.10864e+02   -4.73882e+01    4.04609e-06

           Step           Time
       15855000    31710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40956e+03    1.79990e+04    1.24843e+04    1.08845e+03   -2.84826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49675e+03    1.03763e+05    2.78258e+05   -1.72174e+04   -2.15028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20743e+04   -1.73277e+06    3.49193e+05   -1.38358e+06   -1.27358e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13387e+02   -2.12685e+02   -3.71676e+01    3.78713e-06

           Step           Time
       15860000    31720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66198e+03    1.83557e+04    1.24025e+04    1.09994e+03   -2.82609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54176e+03    1.04137e+05    2.80962e+05   -1.72069e+04   -2.15319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19833e+04   -1.73208e+06    3.48966e+05   -1.38311e+06   -1.27346e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13184e+02   -2.12426e+02    3.96869e+01    3.97265e-06

           Step           Time
       15865000    31730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52750e+03    1.80931e+04    1.25248e+04    1.04149e+03   -2.93775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56411e+03    1.03831e+05    2.79253e+05   -1.71753e+04   -2.15170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23000e+04   -1.73268e+06    3.47798e+05   -1.38488e+06   -1.27341e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12135e+02   -2.11646e+02   -1.76396e+01    3.94075e-06

           Step           Time
       15870000    31740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52191e+03    1.81976e+04    1.24550e+04    1.12409e+03   -2.86907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57597e+03    1.04121e+05    2.78870e+05   -1.71928e+04   -2.14854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20860e+04   -1.72965e+06    3.50278e+05   -1.37937e+06   -1.27336e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14361e+02   -2.12078e+02    7.86678e+01    3.94468e-06

           Step           Time
       15875000    31750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52706e+03    1.83557e+04    1.25760e+04    1.11417e+03   -2.80550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50251e+03    1.03907e+05    2.78825e+05   -1.71983e+04   -2.14918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20250e+04   -1.73035e+06    3.51056e+05   -1.37929e+06   -1.27334e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15059e+02   -2.12215e+02    1.86831e+01    3.90998e-06

           Step           Time
       15880000    31760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56273e+03    1.85337e+04    1.24238e+04    1.14320e+03   -2.89820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60229e+03    1.04240e+05    2.77547e+05   -1.71617e+04   -2.14750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21830e+04   -1.72932e+06    3.49006e+05   -1.38032e+06   -1.27331e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13219e+02   -2.11313e+02    9.16585e-01    3.84306e-06

           Step           Time
       15885000    31770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44023e+03    1.81313e+04    1.24287e+04    1.01917e+03   -2.71632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49711e+03    1.04372e+05    2.78862e+05   -1.71117e+04   -2.14829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23859e+04   -1.72898e+06    3.49040e+05   -1.37994e+06   -1.27328e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13250e+02   -2.10085e+02    3.23575e+01    3.94175e-06

           Step           Time
       15890000    31780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66776e+03    1.82373e+04    1.24914e+04    1.20402e+03   -2.89209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48965e+03    1.03556e+05    2.80458e+05   -1.71957e+04   -2.15112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20919e+04   -1.73101e+06    3.50780e+05   -1.38023e+06   -1.27322e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14811e+02   -2.12149e+02    4.83424e+01    4.02876e-06

           Step           Time
       15895000    31790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44746e+03    1.81817e+04    1.24989e+04    1.13775e+03   -2.83413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63563e+03    1.03997e+05    2.79758e+05   -1.71499e+04   -2.14660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23928e+04   -1.72653e+06    3.49141e+05   -1.37739e+06   -1.27318e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13340e+02   -2.11021e+02    7.08063e+01    3.96236e-06

           Step           Time
       15900000    31800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38730e+03    1.83760e+04    1.22935e+04    1.03632e+03   -2.70277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55876e+03    1.03858e+05    2.79170e+05   -1.71794e+04   -2.15027e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19673e+04   -1.73150e+06    3.48648e+05   -1.38285e+06   -1.27314e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12898e+02   -2.11747e+02    4.98242e+01    3.96449e-06

           Step           Time
       15905000    31810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57197e+03    1.82156e+04    1.23679e+04    1.07024e+03   -2.79749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54241e+03    1.03890e+05    2.81618e+05   -1.71385e+04   -2.15305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21583e+04   -1.73155e+06    3.47792e+05   -1.38376e+06   -1.27310e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12130e+02   -2.10741e+02    3.17330e+01    3.95217e-06

           Step           Time
       15910000    31820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63369e+03    1.81655e+04    1.23285e+04    1.12478e+03   -2.90800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58862e+03    1.03995e+05    2.79771e+05   -1.71772e+04   -2.15173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20638e+04   -1.73215e+06    3.48277e+05   -1.38387e+06   -1.27311e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12565e+02   -2.11693e+02    3.55068e+01    4.00459e-06

           Step           Time
       15915000    31830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43505e+03    1.81246e+04    1.23698e+04    1.06677e+03   -2.79565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62294e+03    1.03895e+05    2.82441e+05   -1.72019e+04   -2.15417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19660e+04   -1.73225e+06    3.48184e+05   -1.38407e+06   -1.27303e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12482e+02   -2.12301e+02    1.14503e+02    4.06508e-06

           Step           Time
       15920000    31840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56429e+03    1.80528e+04    1.22051e+04    1.13077e+03   -2.78253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54074e+03    1.04247e+05    2.77712e+05   -1.71226e+04   -2.14855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22283e+04   -1.73077e+06    3.47982e+05   -1.38279e+06   -1.27302e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12301e+02   -2.10351e+02   -1.13609e+02    3.99258e-06

           Step           Time
       15925000    31850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59833e+03    1.81231e+04    1.23452e+04    1.02536e+03   -2.82973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61097e+03    1.03945e+05    2.80091e+05   -1.71503e+04   -2.15115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19954e+04   -1.73140e+06    3.48350e+05   -1.38305e+06   -1.27305e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12630e+02   -2.11032e+02    9.39461e+00    4.12686e-06

           Step           Time
       15930000    31860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51453e+03    1.79503e+04    1.25863e+04    1.10050e+03   -2.89989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46323e+03    1.04076e+05    2.80488e+05   -1.71382e+04   -2.15030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22841e+04   -1.72987e+06    3.47884e+05   -1.38199e+06   -1.27302e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12213e+02   -2.10735e+02   -2.36417e+01    3.98135e-06

           Step           Time
       15935000    31870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92197e+03    1.87544e+04    1.26540e+04    1.02933e+03   -2.82884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56422e+03    1.03624e+05    2.78494e+05   -1.71596e+04   -2.14680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21566e+04   -1.72758e+06    3.50403e+05   -1.37718e+06   -1.27295e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14473e+02   -2.11261e+02   -5.62050e+01    4.12641e-06

           Step           Time
       15940000    31880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34857e+03    1.85327e+04    1.25293e+04    1.08570e+03   -2.80621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46377e+03    1.04073e+05    2.82565e+05   -1.71705e+04   -2.14906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23040e+04   -1.72614e+06    3.48314e+05   -1.37782e+06   -1.27291e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12598e+02   -2.11529e+02    2.27612e+02    3.96578e-06

           Step           Time
       15945000    31890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.39438e+03    1.83384e+04    1.23332e+04    1.09564e+03   -2.81580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54815e+03    1.04319e+05    2.79243e+05   -1.71777e+04   -2.15194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20667e+04   -1.73259e+06    3.47917e+05   -1.38467e+06   -1.27287e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12242e+02   -2.11707e+02    2.17804e+01    3.88270e-06

           Step           Time
       15950000    31900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59222e+03    1.80346e+04    1.24358e+04    1.06983e+03   -2.89263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66261e+03    1.03905e+05    2.79022e+05   -1.71115e+04   -2.14824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22543e+04   -1.72926e+06    3.48277e+05   -1.38099e+06   -1.27286e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12565e+02   -2.10080e+02    8.25570e+00    4.07455e-06

           Step           Time
       15955000    31910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69439e+03    1.82964e+04    1.23526e+04    1.04593e+03   -2.81253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57546e+03    1.03896e+05    2.81933e+05   -1.71470e+04   -2.15192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20139e+04   -1.73007e+06    3.49720e+05   -1.38035e+06   -1.27284e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13860e+02   -2.10952e+02    5.38104e+01    3.92903e-06

           Step           Time
       15960000    31920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57663e+03    1.80614e+04    1.24071e+04    1.15149e+03   -2.78504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60499e+03    1.04192e+05    2.76581e+05   -1.72036e+04   -2.14591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18927e+04   -1.72943e+06    3.48772e+05   -1.38066e+06   -1.27282e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13010e+02   -2.12343e+02   -5.08858e+01    3.88220e-06

           Step           Time
       15965000    31930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64650e+03    1.81770e+04    1.23987e+04    1.08804e+03   -2.78384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54172e+03    1.04107e+05    2.77719e+05   -1.71630e+04   -2.14767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20171e+04   -1.72992e+06    3.48588e+05   -1.38134e+06   -1.27277e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12844e+02   -2.11344e+02   -4.71767e+01    4.10725e-06

           Step           Time
       15970000    31940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38048e+03    1.83456e+04    1.23377e+04    1.03118e+03   -2.80243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60957e+03    1.04015e+05    2.78717e+05   -1.71633e+04   -2.14721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20081e+04   -1.72874e+06    3.47034e+05   -1.38170e+06   -1.27273e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11450e+02   -2.11351e+02    1.91111e+01    3.91709e-06

           Step           Time
       15975000    31950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47246e+03    1.82778e+04    1.23471e+04    1.03706e+03   -2.84585e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59212e+03    1.03726e+05    2.76751e+05   -1.71700e+04   -2.14450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21011e+04   -1.72821e+06    3.47617e+05   -1.38059e+06   -1.27269e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11973e+02   -2.11515e+02    2.92475e+01    3.95019e-06

           Step           Time
       15980000    31960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48392e+03    1.81746e+04    1.24800e+04    1.13836e+03   -2.71897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51948e+03    1.03978e+05    2.82767e+05   -1.71778e+04   -2.15513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22814e+04   -1.73220e+06    3.48541e+05   -1.38366e+06   -1.27267e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12802e+02   -2.11708e+02    1.26522e+02    3.84016e-06

           Step           Time
       15985000    31970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53777e+03    1.80717e+04    1.24272e+04    1.19312e+03   -2.69293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54525e+03    1.03674e+05    2.78950e+05   -1.71686e+04   -2.14700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21267e+04   -1.72834e+06    3.49939e+05   -1.37840e+06   -1.27267e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14057e+02   -2.11482e+02   -4.89107e+01    3.96287e-06

           Step           Time
       15990000    31980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61758e+03    1.81475e+04    1.24265e+04    1.07715e+03   -2.81758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43251e+03    1.04267e+05    2.77869e+05   -1.71037e+04   -2.14703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19645e+04   -1.72915e+06    3.49740e+05   -1.37941e+06   -1.27265e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13878e+02   -2.09889e+02   -1.57807e+02    4.06031e-06

           Step           Time
       15995000    31990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52803e+03    1.81062e+04    1.26290e+04    1.03976e+03   -2.96269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46241e+03    1.04478e+05    2.79998e+05   -1.71891e+04   -2.15012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21876e+04   -1.72984e+06    3.50806e+05   -1.37903e+06   -1.27260e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14835e+02   -2.11987e+02    8.06882e+01    3.88653e-06

           Step           Time
       16000000    32000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53592e+03    1.79500e+04    1.23857e+04    1.10327e+03   -2.77301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59491e+03    1.04478e+05    2.76567e+05   -1.71144e+04   -2.14530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20363e+04   -1.72853e+06    3.48142e+05   -1.38039e+06   -1.27254e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12444e+02   -2.10150e+02   -1.43712e+02    4.06831e-06

           Step           Time
       16005000    32010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50171e+03    1.81583e+04    1.25335e+04    1.10226e+03   -2.95517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53323e+03    1.04240e+05    2.80296e+05   -1.71831e+04   -2.14799e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21167e+04   -1.72765e+06    3.49007e+05   -1.37864e+06   -1.27256e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13221e+02   -2.11839e+02    1.23371e+02    4.04143e-06

           Step           Time
       16010000    32020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.49782e+03    1.81921e+04    1.24996e+04    1.04454e+03   -2.85849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49088e+03    1.04603e+05    2.76456e+05   -1.71618e+04   -2.14776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21988e+04   -1.73079e+06    3.48439e+05   -1.38235e+06   -1.27245e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12710e+02   -2.11315e+02   -1.37304e+02    3.90292e-06

           Step           Time
       16015000    32030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56314e+03    1.84642e+04    1.24347e+04    1.05093e+03   -2.85569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.44396e+03    1.04863e+05    2.79640e+05   -1.71709e+04   -2.15092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20915e+04   -1.73039e+06    3.48989e+05   -1.38140e+06   -1.27245e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13204e+02   -2.11538e+02   -7.18772e+00    3.94604e-06

           Step           Time
       16020000    32040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.42195e+03    1.83474e+04    1.24070e+04    1.07875e+03   -2.86568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59062e+03    1.04362e+05    2.78284e+05   -1.71818e+04   -2.14928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18431e+04   -1.73099e+06    3.49007e+05   -1.38199e+06   -1.27238e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13220e+02   -2.11807e+02    3.37904e+00    3.80454e-06

           Step           Time
       16025000    32050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57286e+03    1.82765e+04    1.24583e+04    1.05480e+03   -2.88072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55183e+03    1.04486e+05    2.79750e+05   -1.71699e+04   -2.14967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21073e+04   -1.72946e+06    3.48729e+05   -1.38074e+06   -1.27233e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12971e+02   -2.11514e+02    6.22693e+01    3.92883e-06

           Step           Time
       16030000    32060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64390e+03    1.79298e+04    1.24047e+04    1.12489e+03   -2.90930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54750e+03    1.04438e+05    2.78265e+05   -1.71873e+04   -2.14923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21721e+04   -1.73081e+06    3.48018e+05   -1.38279e+06   -1.27232e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12332e+02   -2.11943e+02    1.72876e+01    3.89637e-06

Writing checkpoint, step 16034100 at Thu Dec  7 11:42:56 2023


           Step           Time
       16035000    32070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47927e+03    1.84791e+04    1.26015e+04    1.19397e+03   -2.92249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41755e+03    1.04135e+05    2.80544e+05   -1.71965e+04   -2.15044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21326e+04   -1.72958e+06    3.50181e+05   -1.37940e+06   -1.27232e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14274e+02   -2.12169e+02    8.09286e+01    4.18574e-06

           Step           Time
       16040000    32080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.46390e+03    1.81253e+04    1.22211e+04    1.01384e+03   -2.95188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52293e+03    1.03793e+05    2.79232e+05   -1.71248e+04   -2.15045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18227e+04   -1.73233e+06    3.47519e+05   -1.38481e+06   -1.27229e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11885e+02   -2.10407e+02   -5.43734e+01    3.97643e-06

           Step           Time
       16045000    32090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52389e+03    1.87227e+04    1.23615e+04    1.08575e+03   -2.80782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58272e+03    1.04440e+05    2.79690e+05   -1.71862e+04   -2.14858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20181e+04   -1.72815e+06    3.49386e+05   -1.37876e+06   -1.27226e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13561e+02   -2.11914e+02    3.06418e+01    3.99470e-06

           Step           Time
       16050000    32100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65180e+03    1.84497e+04    1.26311e+04    1.02321e+03   -2.97665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52222e+03    1.04521e+05    2.76998e+05   -1.71787e+04   -2.14641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22477e+04   -1.72852e+06    3.49793e+05   -1.37873e+06   -1.27222e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13926e+02   -2.11731e+02   -6.05059e+01    4.03480e-06

           Step           Time
       16055000    32110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.47235e+03    1.82457e+04    1.24279e+04    1.04038e+03   -2.90401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55934e+03    1.04220e+05    2.76181e+05   -1.71225e+04   -2.14543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22356e+04   -1.72907e+06    3.47296e+05   -1.38177e+06   -1.27218e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11685e+02   -2.10350e+02   -1.20690e+02    3.95053e-06

           Step           Time
       16060000    32120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67439e+03    1.80375e+04    1.25395e+04    1.09826e+03   -2.80928e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55765e+03    1.04664e+05    2.78407e+05   -1.71553e+04   -2.14883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22178e+04   -1.72960e+06    3.49471e+05   -1.38013e+06   -1.27217e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13637e+02   -2.11154e+02   -1.06468e+01    3.84727e-06

           Step           Time
       16065000    32130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41039e+03    1.79851e+04    1.24743e+04    1.06747e+03   -2.87767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51933e+03    1.04836e+05    2.80142e+05   -1.71963e+04   -2.15278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20199e+04   -1.73240e+06    3.48992e+05   -1.38341e+06   -1.27214e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13206e+02   -2.12163e+02    1.25122e+01    4.04542e-06

           Step           Time
       16070000    32140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55992e+03    1.82883e+04    1.24355e+04    1.05124e+03   -2.78559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53611e+03    1.04402e+05    2.79886e+05   -1.72010e+04   -2.15139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20487e+04   -1.73117e+06    3.48965e+05   -1.38221e+06   -1.27206e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13183e+02   -2.12280e+02    7.03369e+01    3.89603e-06

           Step           Time
       16075000    32150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63313e+03    1.83853e+04    1.23696e+04    1.10951e+03   -2.92234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42516e+03    1.04389e+05    2.79070e+05   -1.71849e+04   -2.14918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21137e+04   -1.72979e+06    3.50327e+05   -1.37946e+06   -1.27203e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14405e+02   -2.11884e+02    1.53561e+00    3.95118e-06

           Step           Time
       16080000    32160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54295e+03    1.80562e+04    1.25946e+04    1.11391e+03   -2.89749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63335e+03    1.04535e+05    2.77164e+05   -1.71322e+04   -2.14640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19574e+04   -1.72884e+06    3.48840e+05   -1.38000e+06   -1.27199e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13070e+02   -2.10587e+02   -6.67234e+00    3.81017e-06

           Step           Time
       16085000    32170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45001e+03    1.81753e+04    1.25330e+04    1.15087e+03   -2.68315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58969e+03    1.04280e+05    2.79003e+05   -1.71883e+04   -2.15107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20490e+04   -1.73171e+06    3.49570e+05   -1.38214e+06   -1.27193e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13726e+02   -2.11967e+02    2.35093e+01    3.96802e-06

           Step           Time
       16090000    32180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82610e+03    1.85449e+04    1.23947e+04    1.08431e+03   -2.89389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49804e+03    1.03944e+05    2.80793e+05   -1.71302e+04   -2.14968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22231e+04   -1.72839e+06    3.50396e+05   -1.37800e+06   -1.27189e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14467e+02   -2.10538e+02    7.29769e+00    3.88209e-06

           Step           Time
       16095000    32190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63331e+03    1.81898e+04    1.25443e+04    1.15273e+03   -2.96725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46102e+03    1.03833e+05    2.79015e+05   -1.71421e+04   -2.14786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20412e+04   -1.72910e+06    3.47730e+05   -1.38137e+06   -1.27185e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12074e+02   -2.10831e+02   -6.87368e+01    4.11630e-06

           Step           Time
       16100000    32200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.45829e+03    1.78957e+04    1.25324e+04    1.13632e+03   -2.76066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51822e+03    1.04596e+05    2.81193e+05   -1.71538e+04   -2.15248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19297e+04   -1.73114e+06    3.47554e+05   -1.38358e+06   -1.27184e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11916e+02   -2.11119e+02    7.08719e+01    3.88311e-06

           Step           Time
       16105000    32210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34028e+03    1.84110e+04    1.22937e+04    1.12781e+03   -2.79396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61596e+03    1.04584e+05    2.76601e+05   -1.71411e+04   -2.14493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20936e+04   -1.72780e+06    3.49281e+05   -1.37851e+06   -1.27181e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13466e+02   -2.10806e+02   -2.30862e+01    4.00133e-06

           Step           Time
       16110000    32220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.33511e+03    1.82723e+04    1.23876e+04    1.12228e+03   -2.81927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.48399e+03    1.03958e+05    2.79392e+05   -1.71899e+04   -2.15241e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18881e+04   -1.73358e+06    3.49976e+05   -1.38361e+06   -1.27182e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14090e+02   -2.12007e+02    8.12602e+00    3.98519e-06

           Step           Time
       16115000    32230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60297e+03    1.80408e+04    1.23917e+04    1.07192e+03   -2.74961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59704e+03    1.03661e+05    2.78352e+05   -1.71733e+04   -2.14798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21436e+04   -1.73004e+06    3.48952e+05   -1.38109e+06   -1.27173e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13171e+02   -2.11598e+02   -4.60179e+01    3.93569e-06

           Step           Time
       16120000    32240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53117e+03    1.80255e+04    1.26522e+04    1.11754e+03   -2.85337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49139e+03    1.04443e+05    2.80673e+05   -1.71490e+04   -2.15066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22548e+04   -1.72947e+06    3.48298e+05   -1.38117e+06   -1.27172e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12584e+02   -2.10999e+02    3.24083e+01    3.93560e-06

           Step           Time
       16125000    32250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59163e+03    1.84936e+04    1.24002e+04    1.13005e+03   -2.90778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47244e+03    1.03968e+05    2.78580e+05   -1.71932e+04   -2.14881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21581e+04   -1.73012e+06    3.48643e+05   -1.38148e+06   -1.27173e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12893e+02   -2.12089e+02    6.44306e+01    4.05678e-06

           Step           Time
       16130000    32260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36468e+03    1.82816e+04    1.23844e+04    1.16042e+03   -2.75456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61565e+03    1.04226e+05    2.77469e+05   -1.70904e+04   -2.14547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22309e+04   -1.72759e+06    3.49548e+05   -1.37804e+06   -1.27167e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13706e+02   -2.09563e+02   -4.50865e+01    4.09997e-06

           Step           Time
       16135000    32270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56753e+03    1.82071e+04    1.23701e+04    1.13418e+03   -2.94505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59076e+03    1.04185e+05    2.77786e+05   -1.71655e+04   -2.14597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20699e+04   -1.72817e+06    3.49975e+05   -1.37819e+06   -1.27165e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14089e+02   -2.11406e+02    6.49836e+00    4.01416e-06

           Step           Time
       16140000    32280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.41732e+03    1.84984e+04    1.25281e+04    1.11091e+03   -2.91926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64049e+03    1.03961e+05    2.79154e+05   -1.72056e+04   -2.14802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22054e+04   -1.72863e+06    3.50220e+05   -1.37841e+06   -1.27165e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14309e+02   -2.12394e+02    1.00793e+02    3.92459e-06

           Step           Time
       16145000    32290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61714e+03    1.86472e+04    1.24841e+04    1.09326e+03   -2.91501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54458e+03    1.03924e+05    2.79671e+05   -1.71210e+04   -2.14653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21506e+04   -1.72643e+06    3.51669e+05   -1.37476e+06   -1.27158e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15609e+02   -2.10313e+02    4.91220e+01    4.06169e-06

           Step           Time
       16150000    32300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53428e+03    1.84697e+04    1.24488e+04    1.06962e+03   -2.88488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.42418e+03    1.03534e+05    2.79143e+05   -1.71932e+04   -2.14797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20152e+04   -1.72941e+06    3.48243e+05   -1.38117e+06   -1.27159e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12535e+02   -2.12088e+02    3.19916e+01    4.25154e-06

           Step           Time
       16155000    32310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63756e+03    1.84093e+04    1.23983e+04    1.17600e+03   -2.76601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51552e+03    1.04392e+05    2.80191e+05   -1.71494e+04   -2.14778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22206e+04   -1.72675e+06    3.48267e+05   -1.37848e+06   -1.27151e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12556e+02   -2.11010e+02    1.21157e+02    3.99812e-06

           Step           Time
       16160000    32320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94796e+03    1.80771e+04    1.24537e+04    1.07846e+03   -2.76382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41580e+03    1.03701e+05    2.77806e+05   -1.71670e+04   -2.14881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21093e+04   -1.73115e+06    3.49006e+05   -1.38215e+06   -1.27154e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13219e+02   -2.11444e+02   -1.54883e+02    4.06972e-06

           Step           Time
       16165000    32330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75815e+03    1.83074e+04    1.23784e+04    1.07791e+03   -2.83497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43556e+03    1.04008e+05    2.79201e+05   -1.71358e+04   -2.15024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22313e+04   -1.73081e+06    3.49395e+05   -1.38142e+06   -1.27150e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13568e+02   -2.10675e+02   -7.52616e+01    3.93750e-06

           Step           Time
       16170000    32340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65594e+03    1.81667e+04    1.24196e+04    1.02237e+03   -2.81670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.54110e+03    1.03643e+05    2.81306e+05   -1.71431e+04   -2.15006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20293e+04   -1.72923e+06    3.48097e+05   -1.38113e+06   -1.27143e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12403e+02   -2.10856e+02    9.26433e+01    4.01779e-06

           Step           Time
       16175000    32350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51205e+03    1.85007e+04    1.23996e+04    1.05907e+03   -2.86892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59014e+03    1.04323e+05    2.79383e+05   -1.71486e+04   -2.14738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19794e+04   -1.72765e+06    3.50183e+05   -1.37747e+06   -1.27140e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14275e+02   -2.10990e+02    8.44363e+01    4.08915e-06

           Step           Time
       16180000    32360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.40488e+03    1.81323e+04    1.26064e+04    1.13032e+03   -2.88479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.41513e+03    1.04236e+05    2.77854e+05   -1.71710e+04   -2.15065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19783e+04   -1.73295e+06    3.47266e+05   -1.38568e+06   -1.27136e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11658e+02   -2.11540e+02   -1.28330e+02    3.89977e-06

           Step           Time
       16185000    32370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90361e+03    1.80300e+04    1.25433e+04    1.05916e+03   -2.83997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57655e+03    1.03867e+05    2.79175e+05   -1.71735e+04   -2.14883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20945e+04   -1.72960e+06    3.49057e+05   -1.38054e+06   -1.27127e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13265e+02   -2.11604e+02   -1.42872e+01    4.12490e-06

           Step           Time
       16190000    32380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68564e+03    1.80461e+04    1.25434e+04    1.12316e+03   -2.82927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71360e+03    1.04358e+05    2.81169e+05   -1.71646e+04   -2.15176e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23446e+04   -1.72977e+06    3.50470e+05   -1.37930e+06   -1.27127e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14533e+02   -2.11383e+02    1.43196e+02    3.96877e-06

           Step           Time
       16195000    32390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.34994e+03    1.86168e+04    1.22795e+04    1.11779e+03   -2.78960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65934e+03    1.03930e+05    2.76506e+05   -1.71275e+04   -2.14502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21878e+04   -1.72829e+06    3.47427e+05   -1.38087e+06   -1.27124e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11802e+02   -2.10471e+02   -3.29033e+01    4.13385e-06

           Step           Time
       16200000    32400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57506e+03    1.81481e+04    1.25346e+04    1.14685e+03   -2.83849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46356e+03    1.03714e+05    2.82624e+05   -1.71512e+04   -2.15331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20471e+04   -1.73105e+06    3.49978e+05   -1.38107e+06   -1.27125e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14092e+02   -2.11055e+02    1.14442e+02    4.02317e-06

           Step           Time
       16205000    32410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.52096e+03    1.81174e+04    1.23945e+04    1.06747e+03   -2.91196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59885e+03    1.04003e+05    2.79836e+05   -1.71908e+04   -2.15077e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19865e+04   -1.73135e+06    3.50414e+05   -1.38094e+06   -1.27127e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14483e+02   -2.12028e+02    2.12614e+01    4.01838e-06

           Step           Time
       16210000    32420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55927e+03    1.85200e+04    1.24451e+04    1.20145e+03   -2.82808e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.45515e+03    1.03971e+05    2.78890e+05   -1.71563e+04   -2.14649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20647e+04   -1.72737e+06    3.49389e+05   -1.37798e+06   -1.27120e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13563e+02   -2.11181e+02    3.33541e+01    4.29482e-06

           Step           Time
       16215000    32430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.53331e+03    1.80472e+04    1.25490e+04    1.08261e+03   -2.88659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.55165e+03    1.04121e+05    2.81362e+05   -1.71654e+04   -2.15236e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22755e+04   -1.73089e+06    3.45946e+05   -1.38494e+06   -1.27115e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10473e+02   -2.11404e+02    7.41843e+01    3.98251e-06

           Step           Time
       16220000    32440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.51493e+03    1.79541e+04    1.24439e+04    1.00783e+03   -2.86835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.40265e+03    1.04154e+05    2.79112e+05   -1.71944e+04   -2.15110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21874e+04   -1.73239e+06    3.50568e+05   -1.38182e+06   -1.27119e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14621e+02   -2.12117e+02   -3.28018e+01    4.13586e-06

           Step           Time
       16225000    32450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.38864e+03    1.80889e+04    1.26037e+04    1.09166e+03   -2.87060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59824e+03    1.04468e+05    2.81557e+05   -1.71936e+04   -2.15157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20277e+04   -1.72981e+06    3.48217e+05   -1.38160e+06   -1.27111e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12511e+02   -2.12097e+02    2.11984e+02    3.93627e-06

           Step           Time
       16230000    32460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43457e+03    1.81040e+04    1.24682e+04    1.07849e+03   -2.77667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62389e+03    1.04662e+05    2.76478e+05   -1.71553e+04   -2.14450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22046e+04   -1.72737e+06    3.47250e+05   -1.38012e+06   -1.27110e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11644e+02   -2.11155e+02   -1.03391e+02    4.08470e-06

           Step           Time
       16235000    32470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57638e+03    1.82140e+04    1.24157e+04    1.08292e+03   -2.90247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.46089e+03    1.04270e+05    2.77114e+05   -1.71336e+04   -2.14625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20967e+04   -1.72906e+06    3.50086e+05   -1.37897e+06   -1.27111e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14189e+02   -2.10621e+02   -1.20741e+02    3.92704e-06

           Step           Time
       16240000    32480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48349e+03    1.82717e+04    1.23954e+04    1.12525e+03   -2.80728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.49278e+03    1.04008e+05    2.79662e+05   -1.72211e+04   -2.15126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20666e+04   -1.73178e+06    3.48116e+05   -1.38366e+06   -1.27103e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12420e+02   -2.12777e+02   -1.76611e+00    4.06184e-06

           Step           Time
       16245000    32490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.36764e+03    1.82914e+04    1.23101e+04    1.10145e+03   -2.95951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50954e+03    1.04576e+05    2.80173e+05   -1.71905e+04   -2.15151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22488e+04   -1.73109e+06    3.48316e+05   -1.38277e+06   -1.27100e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12600e+02   -2.12021e+02    8.10200e+01    4.06560e-06

           Step           Time
       16250000    32500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67002e+03    1.82175e+04    1.24641e+04    1.05496e+03   -2.83681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53544e+03    1.05036e+05    2.77766e+05   -1.71794e+04   -2.14649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20027e+04   -1.72776e+06    3.48937e+05   -1.37882e+06   -1.27095e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13158e+02   -2.11748e+02   -1.07564e+01    4.07012e-06

           Step           Time
       16255000    32510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74154e+03    1.82596e+04    1.23390e+04    1.09249e+03   -2.91477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52377e+03    1.04741e+05    2.78545e+05   -1.71710e+04   -2.14976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20573e+04   -1.73055e+06    3.48898e+05   -1.38165e+06   -1.27093e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13122e+02   -2.11541e+02   -4.75353e+01    4.08958e-06

           Step           Time
       16260000    32520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70294e+03    1.80707e+04    1.23499e+04    1.15589e+03   -2.90407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.53786e+03    1.04727e+05    2.77715e+05   -1.71398e+04   -2.14971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20660e+04   -1.73143e+06    3.48301e+05   -1.38313e+06   -1.27087e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12587e+02   -2.10774e+02   -9.87030e+01    4.06568e-06

           Step           Time
       16265000    32530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.50396e+03    1.82505e+04    1.25424e+04    1.04568e+03   -2.86526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47182e+03    1.04242e+05    2.79189e+05   -1.71712e+04   -2.14714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20325e+04   -1.72790e+06    3.48325e+05   -1.37958e+06   -1.27089e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12608e+02   -2.11547e+02    4.02776e+01    4.16438e-06

           Step           Time
       16270000    32540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.43551e+03    1.83444e+04    1.24820e+04    1.14484e+03   -2.93496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.52260e+03    1.04547e+05    2.77415e+05   -1.71590e+04   -2.14705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22840e+04   -1.72897e+06    3.47595e+05   -1.38137e+06   -1.27084e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11953e+02   -2.11247e+02   -3.73052e+01    4.06791e-06

           Step           Time
       16275000    32550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.48022e+03    1.81016e+04    1.24209e+04    1.07656e+03   -2.81692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.58520e+03    1.04430e+05    2.78663e+05   -1.71435e+04   -2.14892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21736e+04   -1.72995e+06    3.47638e+05   -1.38231e+06   -1.27087e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11991e+02   -2.10865e+02   -7.14882e+00    4.17502e-06

           Step           Time
       16280000    32560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.44810e+03    1.86653e+04    1.23298e+04    1.04588e+03   -2.81147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.50011e+03    1.04857e+05    2.78883e+05   -1.71833e+04   -2.15046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21280e+04   -1.73060e+06    3.51204e+05   -1.37939e+06   -1.27083e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.15192e+02   -2.11843e+02    1.76391e+01    4.15003e-06

           Step           Time
       16285000    32570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63160e+03    1.85101e+04    1.23623e+04    1.03854e+03   -2.89506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61581e+03    1.04168e+05    2.78921e+05   -1.71624e+04   -2.15099e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20478e+04   -1.73176e+06    3.48712e+05   -1.38304e+06   -1.27079e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12955e+02   -2.11329e+02   -7.94173e+00    4.00933e-06

Writing checkpoint, step 16287000 at Thu Dec  7 11:58:09 2023


           Step           Time
       16290000    32580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76136e+03    1.81424e+04    1.25585e+04    1.06917e+03   -2.96009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.47530e+03    1.03843e+05    2.79540e+05   -1.71670e+04   -2.15078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20810e+04   -1.73143e+06    3.48174e+05   -1.38326e+06   -1.27078e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12472e+02   -2.11442e+02    2.45247e+01    4.14926e-06



Received the INT signal, stopping within 100 steps

           Step           Time
       16290300    32580.60000

Writing checkpoint, step 16290300 at Thu Dec  7 12:07:33 2023


   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77535e+03    1.83971e+04    1.23960e+04    1.03130e+03   -2.79671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.43412e+03    1.04137e+05    2.78090e+05   -1.71520e+04   -2.14701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20360e+04   -1.72866e+06    3.49116e+05   -1.37954e+06   -1.27081e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13318e+02   -2.11074e+02   -2.27001e+01    3.93109e-06


Energy conservation over simulation part #1 of length 32580.6 ns, time 0 to 32580.6 ns
  Conserved energy drift: 2.45e-05 kJ/mol/ps per atom


	<======  ###############  ==>
	<====  A V E R A G E S  ====>
	<==  ###############  ======>

	Statistics over 16290301 steps using 162904 frames

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55463e+03    1.82977e+04    1.24399e+04    1.09270e+03   -2.81345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.51186e+03    1.04179e+05    2.79160e+05   -1.71635e+04   -2.14910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21213e+04   -1.72972e+06    3.48765e+05   -1.38096e+06   -1.32321e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13003e+02   -2.11358e+02    1.28338e-01    0.00000e+00

          Box-X          Box-Y          Box-Z
    1.24059e+01    1.24059e+01    8.77229e+00

   Total Virial (kJ/mol)
    1.16300e+05    2.50782e+01    4.98696e+01
    2.52652e+01    1.16242e+05    1.75660e+01
    4.97970e+01    1.74877e+01    1.16213e+05

   Pressure (bar)
   -6.44180e-01   -5.83908e-01   -7.15372e-01
   -5.88508e-01   -3.40949e-01   -1.04189e+00
   -7.13587e-01   -1.03997e+00    1.37014e+00

      T-Protein  T-non-Protein
    3.13078e+02    3.12997e+02


	M E G A - F L O P S   A C C O U N T I N G

 NB=Group-cutoff nonbonded kernels    NxN=N-by-N cluster Verlet kernels
 RF=Reaction-Field  VdW=Van der Waals  QSTab=quadratic-spline table
 W3=SPC/TIP3p  W4=TIP4p (single or pairs)
 V&F=Potential and force  V=Potential only  F=Force only

 Computing:                               M-Number         M-Flops  % Flops
-----------------------------------------------------------------------------
 Pair Search distance check         1999244.515472    17993200.639     0.0
 NxN Ewald Elec. + LJ [F]         2051152784.265024 135376083761.492    98.0
 NxN Ewald Elec. + LJ [V&F]        20718842.108416  2216916105.601     1.6
 1,4 nonbonded interactions          339831.969161    30584877.224     0.0
 Shift-X                              21507.400600      129044.404     0.0
 Bonds                                66497.008682     3923323.512     0.0
 Propers                             291726.710308    66805416.661     0.0
 Impropers                            20672.391969     4299857.530     0.0
 Virial                              215146.124170     3872630.235     0.0
 Stop-CM                              21507.400600      215074.006     0.0
 Calc-Ekin                           430145.635550    11613932.160     0.0
 Lincs                                63499.593298     3809975.598     0.0
 Lincs-Mat                           326653.115652     1306612.463     0.0
 Constraint-V                       2149374.894542    19344374.051     0.0
 Constraint-Vir                      208587.645364     5006103.489     0.0
 Settle                              674125.235982   249426337.313     0.2
 CMAP                                  8324.343811    14151384.479     0.0
 Urey-Bradley                        235020.172527    43008691.572     0.0
-----------------------------------------------------------------------------
 Total                                             138068490702.427   100.0
-----------------------------------------------------------------------------


     R E A L   C Y C L E   A N D   T I M E   A C C O U N T I N G

On 1 MPI rank, each using 20 OpenMP threads

 Computing:          Num   Num      Call    Wall time         Giga-Cycles
                     Ranks Threads  Count      (s)         total sum    %
-----------------------------------------------------------------------------
 Neighbor search        1   20     162904     639.957      46199.668   2.5
 Launch GPU ops.        1   20   16290301     677.460      48907.122   2.6
 Force                  1   20   16290301    3143.619     226943.697  12.2
 Wait PME GPU gather    1   20   16290301    3312.183     239112.643  12.8
 Reduce GPU PME F       1   20   16290301    1845.064     133198.561   7.2
 Wait GPU NB local                           3452.627     249251.560  13.4
 NB X/F buffer ops.     1   20   32417698    4075.169     294193.991  15.8
 Write traj.            1   20       3288      23.785       1717.105   0.1
 Update                 1   20   16290301    1969.566     142186.615   7.6
 Constraints            1   20   16290301    2124.550     153375.192   8.2
 Rest                                        4513.884     325865.676  17.5
-----------------------------------------------------------------------------
 Total                                      25777.865    1860951.830 100.0
-----------------------------------------------------------------------------

               Core t (s)   Wall t (s)        (%)
       Time:   515557.275    25777.865     2000.0
                         7h09:37
                 (ns/day)    (hour/ns)
Performance:      109.201        0.220
Finished mdrun on rank 0 Thu Dec  7 12:07:34 2023

